SCHEMBL9065264

SCHEMBL9065264

CCCCOOC(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
PAM P19021 1/20 0.46
CNR2 P34972 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PDE4A P27815 1/20 0.43
HIF1A Q16665 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL18554127 0.95 MEN1 (0.48) TSHRL3MBTL1ALDH1A1MAPK1CYP3A4
SCHEMBL28008659 0.85 LMNA (0.53) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL456516 0.83 ALDH1A1 (0.59) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL26698258 0.81 TSHR (0.50) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL27672935 0.81 ALDH1A1 (0.58) TSHRL3MBTL1ALDH1A1MAPK1TDP1
Hydrochloric Acid SCHEMBL27576461 0.81 L3MBTL1 (0.58) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL27484985 0.80 ALDH1A1 (0.56) TSHRL3MBTL1ALDH1A1MAPK1TDP1
SCHEMBL27803277 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL28638406 0.78 TDP1 (0.54) TSHRALDH1A1TDP1
SCHEMBL539127 0.78 ALDH1A1 (0.58) TSHRL3MBTL1ALDH1A1MAPK1TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508372-A POLYMERIZATION WITH HYDROXY ACRYLATE RESINS AND OPTIONAL POLYETHERS, POLYESTERS AND POLYCARBONATES; MOISTURE CURABLE BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
EP-0171976-B1 CRYSTALLINE 1-BUTENE POLYMER COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-10-18 EP disclosed
EP-0149356-B1 LAMINATED STRUCTURE HAVING POST-CHLORINATED ADHESIVE OLEFIN RESIN LAYER MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-09-07 EP disclosed
US-4382114-A POLYESTERPOLYOL, ISOCYANATE BAYER AKTIENGESELLSCHAFT (DE) 1983-05-03 US disclosed
US-4291135-A CROSSLINKABLE ACRYLATE COPOLYMERS, ALKYD RESINS AND POLYSILOXANES SUITABLE AS LACQUERS BAYER AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed