SCHEMBL7541159

SCHEMBL7541159

OCCOCC(O)c1ccc(C(O)COCCO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 3/20 0.35
HIF1A Q16665 2/20 0.35
HTR3A P46098 1/20 0.35
NFKB1 P19838 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALOX15 P16050 1/20 0.34
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 3/20 0.33
AOC3 Q16853 1/20 0.32
HTR1A P08908 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NMUR2 Q9GZQ4 1/20 0.32
CYP2C9 P11712 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16070680 0.90 KMT2A (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL28920030 0.90 AOC3 (0.43) MEN1KMT2AKDM4EAOC3
SCHEMBL8151932 0.90 LMNA (0.47) KDM4EALDH1A1AOC3RECQLLMNA
SCHEMBL28207428 0.86 LMNA (0.44) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL8837196 0.86 LMNA (0.44) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL10615156 0.86 LMNA (0.44) TSHRMAPK1MEN1KMT2AKDM4E
SCHEMBL16070703 0.86 APP (0.33)
SCHEMBL30449491 0.84 ALDH1A1 (0.39) MEN1KMT2AALDH1A1RECQLLMNA
SCHEMBL11314095 0.84 ADRB2 (0.36) TSHRHIF1ANFKB1KDM4EAOC3
Phosphoric Acid SCHEMBL28572759 0.82 LMNA (0.40) KDM4EALDH1A1AOC3SMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020055602-A1 Aromatic polyisocyanates blocked by pyrazole or pyrazole derivatives and the preparation and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2002-05-09 US disclosed
US-5770651-A POLYURETHANE CONTAINING BOTH CATIONIC AND ANIONIC GROUPS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-23 US disclosed
US-5693737-A POLYETHERURETHANES FOR PREPARING CREASE-RESISTANT TEXTILES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-02 US disclosed
EP-0789062-A1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-13 EP disclosed
EP-0698644-B1 Aqueous resin dispersion NIPPON CARBIDE KOGYO KK (JP) 1997-07-23 EP disclosed
US-5629402-A Coating compositions and their use for the preparation of coatings permeable to water vapor BAYER AKTIENGESELLSCHAFT (DE) 1997-05-13 US disclosed
US-5618859-A COMPOSITE FINE PARTICLES COMPRISING A CORE PART AND A SHELL PART HAVING SPECIFIC GLASS TRANSITION TEMPERATURES; VIBRATION-DAMPING COATINGS NIPPON CARBIDE KOGYO KABUSHIKI KAISHA (JP) 1997-04-08 US disclosed
EP-0514220-B1 Aqueous coating composition NIPPON CARBIDE KOGYO KK (JP) 1997-03-05 EP disclosed
US-5607482-A BLOCKED POLYISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0525567-B1 Use of coatings in the preparation of water vapour permeable coatings BAYER AG (DE) 1996-09-04 EP disclosed
US-4160754-A Stable polymer gels BAYER AKTIENGESELLSCHAFT (DE) 1979-07-10 US disclosed
US-4160686-A Method of reverse coating textile sheets with polyurethene BAYER AKTIENGESELLSCHAFT (DE) 1979-07-10 US disclosed
US-4147678-A HEXAKIS(ALKOXYMETHYL)MELAMINE, ORGANIC HALIDE, ANTIMONY COMPOUND UNIROYAL, INC. (US) 1979-04-03 US disclosed
EP-0000927-A1 Process for stabilising thermoplastic polyester urethanes Mobay Chemical Corporation (US) 1979-03-07 EP disclosed
US-4133943-A DIAMINOAROMATIC CARBOXYLIC OR SULFONIC ACIDS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-09 US disclosed
US-4123419-A A 2-OXAZOLIDONE STABILIZER MOBAY CHEMICAL CORPORATION (US) 1978-10-31 US disclosed
US-4116741-A Textile coating with polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed
US-4039516-A Process for the production of soluble high molecular weight polyurethanes which are free from isocyanate groups BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-4035213-A POLYURETHANES, AMINO RESINS BAYER AKTIENGESELLSCHAFT (DT) 1977-07-12 US disclosed
US-3984607-A VINYL COPOLYMER AND A DIENE GRAFT COPOLYMER BAYER AKTIENGESELLSCHAFT (DT) 1976-10-05 US disclosed