SCHEMBL7963942

SCHEMBL7963942

COC(=O)CSc1cccc(C(=O)O)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.61
POLB P06746 2/20 0.61
KMT2A Q03164 1/20 0.51
CYP1A2 P05177 2/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 4/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
ALOX15 P16050 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 3/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL8179309 0.84 CYP1A2 (0.69) HSD17B10POLBCYP1A2RAB9ANPC1
SCHEMBL7977530 0.79 HSD17B10 (0.54) HSD17B10POLBKMT2ACYP1A2ALDH1A1
SCHEMBL8172677 0.79 HSD17B10 (0.57) HSD17B10POLBKMT2ACYP1A2RAB9A
SCHEMBL8153543 0.77 HSD17B10 (0.63) HSD17B10POLBKMT2ACYP1A2ALDH1A1
SCHEMBL9661237 0.76 HSD17B10 (1.00) HSD17B10POLBKMT2ACYP1A2RAB9A
SCHEMBL11544945 0.74 HSD17B10 (0.64) HSD17B10POLBKMT2ACYP1A2ALDH1A1
SCHEMBL2427544 0.73 POLB (0.50) HSD17B10POLBKMT2ACYP1A2RAB9A
SCHEMBL23748605 0.73 PTGS2 (0.50) POLBCYP1A2RAB9ANPC1HSP90AA1
SCHEMBL4633858 0.73 CYP1A2 (0.61) HSD17B10POLBKMT2ACYP1A2RAB9A
SCHEMBL8144828 0.72 HSD17B10 (0.66) HSD17B10POLBKMT2ACYP1A2ALDH1A1

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-2001034573-A1 COMPOUNDS ASTRAZENECA AB (SE) 2001-05-17 WO disclosed