SCHEMBL13895693

SCHEMBL13895693

CC(C)c1ccc2cc(C(=O)O)n(C)c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.58
GPR35 Q9HC97 1/20 0.54
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
PHGDH O43175 6/20 0.47
EIF4A3 P38919 1/20 0.45
GFER P55789 2/20 0.44
SRD5A2 P31213 2/20 0.41
SRD5A1 P18405 1/20 0.41
MAPK1 P28482 1/20 0.41
DAO P14920 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL9613270 0.87 HSD17B10 (0.62) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL13889409 0.87 MCL1 (0.42) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL30790917 0.87 HSD17B10 (0.62) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL13895694 0.86 SLC9A1 (0.42) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL6755414 0.85 MCL1 (0.53) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL3061835 0.78 MCL1 (0.64) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL10254076 0.78 MCL1 (0.64) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL13677503 0.78 HTR7 (0.38) ALDH1A1SMN1; SMN2PHGDHEIF4A3
SCHEMBL2828847 0.77 MCL1 (0.62) MCL1GPR35HSD17B10KDM4EALDH1A1
SCHEMBL31623397 0.77 MCL1 (0.62) MCL1GPR35HSD17B10KDM4EALDH1A1

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-2012155066-A2 SPIRO-OXINDOLE MDM2 ANTAGONISTS WANG SHAOMENG (US) 2012-11-15 WO disclosed