SCHEMBL8744320

SCHEMBL8744320

[CH2]C(C)Sc1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.40
PDE2A O00408 3/20 0.38
NOS1 P29475 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 1/20 0.36
GRM5 P41594 1/20 0.36
KIF11 P52732 5/20 0.35
FBP1 P09467 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
MGLL Q99685 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
SCHEMBL13111202 0.83 AR (0.47) HAO1PDE2ANOS1ALDH1A1SLC6A2
SCHEMBL8744335 0.78 GAA (0.39) ALDH1A1TSHR
SCHEMBL10589164 0.75 CES2 (0.35) HAO1PDE2ANOS1ALDH1A1SLC6A2
SCHEMBL315823 0.73 HSD17B10 (0.48) SLC6A2SLC6A4SLC6A3TSHR
SCHEMBL4964395 0.71 PDE2A (0.50) PDE2AALDH1A1TSHRKIF11CES2
SCHEMBL9621719 0.71 CA1 (0.36) PDE2ANOS1ALDH1A1SLC6A2SLC6A4
SCHEMBL695440 0.70 ALDH1A1 (0.43) HAO1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL695441 0.70 ALDH1A1 (0.43) HAO1NOS1ALDH1A1SLC6A2SLC6A4
SCHEMBL1453376 0.70 MAOA (0.41) ALDH1A1SLC6A4MGLL
SCHEMBL24980466 0.69 CYP3A4 (0.37) HAO1PDE2ANOS1ALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0599906-B1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE BASF AG (DE) 1997-01-15 EP disclosed
EP-0552493-B1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF AG (DE) 1996-09-11 EP disclosed
US-5491123-A Herbicides containing 3-aminobenzo(B)thiophenes as antidotes BASF AKTIENGESELLSCHAFT (DE) 1996-02-13 US disclosed
US-5378677-A Applying with cyclohexenone derivative BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0599906-A1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. BASF AG (DE) 1994-06-08 EP disclosed
EP-0552493-A1 Thiochromenone derivatives as antidotes and herbicidal agents containing them BASF Aktiengesellschaft (DE) 1993-07-28 EP disclosed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 WO disclosed