SCHEMBL9115673

SCHEMBL9115673

C=CCc1c(/C=C/C(=O)c2ccc(OC)cc2)cc(OC(C)C)cc1OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.56
TNFRSF1A P19438 1/20 0.53
ABCG2 Q9UNQ0 1/20 0.51
GABRA3 P34903 1/20 0.50
GABRA2 P47869 1/20 0.50
GABRB2 P47870 1/20 0.50
MAOB P27338 1/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
DPP4 P27487 2/20 0.45

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
SCHEMBL9115678 1.00 PTPN1 (0.56) PTPN1TNFRSF1AABCG2GABRA3GABRA2
SCHEMBL9113069 0.91 PTPN1 (0.53) PTPN1ABCG2MAOBDPP4
SCHEMBL9112411 0.91 PTPN1 (0.53) PTPN1ABCG2MAOBDPP4
SCHEMBL9114615 0.90 PTPN1 (0.56) PTPN1ABCG2MAOBMAPTLMNA
SCHEMBL9111705 0.90 PTPN1 (0.56) PTPN1TNFRSF1AABCG2
SCHEMBL9111700 0.90 PTPN1 (0.56) PTPN1TNFRSF1AABCG2
SCHEMBL9114610 0.90 PTPN1 (0.56) PTPN1ABCG2MAOBMAPTLMNA
SCHEMBL9113333 0.88 DPP4 (0.48) PTPN1ABCG2DPP4
SCHEMBL9113326 0.88 DPP4 (0.48) PTPN1ABCG2DPP4
SCHEMBL9112327 0.87 PTPN1 (0.65) PTPN1TNFRSF1AABCG2GABRA3GABRA2

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-1995006628-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-03-09 WO claimed