SCHEMBL9112781

SCHEMBL9112781

CCCc1c(C=CC(=O)c2ccc(O)cc2)cc(OCC)cc1OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.56
MAOB P27338 3/20 0.56
DPP4 P27487 3/20 0.49
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
CAPN1 P07384 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
PTPN1 P18031 1/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAOA P21397 1/20 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
SCHEMBL9112775 1.00 ABCG2 (0.56) ABCG2MAOBDPP4LMNAPOLB
SCHEMBL9115520 0.93 DPP4 (0.54) ABCG2MAOBDPP4LMNACYP1A1
SCHEMBL9112009 0.90 MAOB (0.58) ABCG2MAOBDPP4LMNACYP1A1
SCHEMBL9114611 0.90 ABCG2 (0.59) ABCG2MAOBDPP4CYP1A1CYP1B1
SCHEMBL9112006 0.90 MAOB (0.58) ABCG2MAOBDPP4LMNACYP1A1
SCHEMBL9114526 0.89 DPP4 (0.53) ABCG2MAOBDPP4LMNACYP1A1
SCHEMBL9112237 0.89 ABCG2 (0.61) ABCG2MAOBDPP4CYP1A1CYP1B1
SCHEMBL9114029 0.87 PTPN1 (0.57) ABCG2MAOBDPP4LMNAPOLB
SCHEMBL9113615 0.87 DPP4 (0.53) ABCG2MAOBDPP4LMNACYP1A1
SCHEMBL9114026 0.87 PTPN1 (0.57) ABCG2MAOBDPP4LMNAPOLB

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