SCHEMBL11029014

SCHEMBL11029014

CCCCOCCCC.NC(=O)N(CO)CO

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CES2 O00748 2/20 0.38
ATM Q13315 1/20 0.36
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RARB P10826 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL11670665 0.92 HTT (0.52) TSHRMAPTMEN1THRBHTT
SCHEMBL11669713 0.92 HTT (0.52) TSHRMAPTMEN1THRBHTT
SCHEMBL897003 0.89 TSHR (0.42) TSHRMAPTMEN1THRBHTT
SCHEMBL11670661 0.82 CES2 (0.46) TSHRMAPTMEN1THRBHTT
SCHEMBL11669711 0.82 CES2 (0.46) TSHRMAPTMEN1THRBHTT
SCHEMBL36378 0.82 TSHR (0.41) TSHRMAPTMEN1KMT2ACYP3A4
Urea SCHEMBL27771105 0.80 TSHR (0.59) TSHRMAPTMEN1THRBHTT
Urea SCHEMBL8373138 0.80 TSHR (0.59) TSHRMAPTMEN1THRBHTT
Ether SCHEMBL7073189 0.79 ALOX15 (0.39) TSHRALDH1A1
Urea SCHEMBL27787737 0.78 TSHR (0.56) TSHRMAPTMEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0065388-B1 COATING COMPOSITION TORAY INDUSTRIES, INC. (JP) 1985-08-28 EP disclosed
US-4439557-A SILYL SUBSTITUTED ACRYLATES, CURING CATALYST TORAY INDUSTRIES, INCORPORATED (JP) 1984-03-27 US disclosed
EP-0065388-A1 Coating composition TORAY INDUSTRIES, INC. (JP) 1982-11-24 EP disclosed
US-4250124-A FIREPROOFING TEXTILES; REACTION OF AN HYDROXY-CONTAINING COMPOUND AND A 2-SUBSTITUTED-2-OXO-OXA-PHOSPHOLANE HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-10 US disclosed
US-4244893-A FIREPROOFING; FINISHES FOR TEXTILES HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-13 US disclosed
US-4220610-A Organic phosphorus compounds with 2-hydroxyalkyl-phosphonic acid groups HOECHST AKTIENGESELLSCHAFT (DE) 1980-09-02 US disclosed
US-4209581-A UREA OR THIOUREA RESIN WITH N-ALKYLOL ACRYLAMIDE TOKYO OHKA KOGYO KABUSHIKI KAISHA (JP) 1980-06-24 US disclosed
US-4163034-A DECYCLIZATION, ESTERIFICATION; FIREPROOFING HOECHST AG. (DE) 1979-07-31 US disclosed
US-4096208-A FIREPROOFING AGENTS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-20 US disclosed