SCHEMBL14670271

SCHEMBL14670271

Bc1cc(C)c(C(=O)OC)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALOX15 P16050 3/20 0.41
HPGD P15428 5/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
ACHE P22303 1/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2027674 0.80 MAPT (0.47) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL14641590 0.79 KDM4E (0.53) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL12344811 0.78 DAO (0.42) MAPTKMT2ATSHRALDH1A1KDM4E
SCHEMBL26281532 0.77 KMT2A (0.44) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL21152503 0.77 MAPT (0.44) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL381164 0.77 MAPK14 (0.52) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL2730725 0.77 MAPT (0.44) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL12272115 0.77 MAPT (0.57) MAPTKMT2AHSD17B10TSHRALDH1A1
SCHEMBL13545971 0.77 MAPT (0.44) MAPTKMT2AHSD17B10TSHRALDH1A1
Hydrochloric Acid SCHEMBL5445499 0.76 MAPK14 (0.51) MAPTKMT2AHSD17B10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013016501-A1 FORMULATIONS OF THIOPHENE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-31 WO disclosed