SCHEMBL9114538

SCHEMBL9114538

C=CCOc1ccc(C(=O)C=Cc2cc(OC)cc(OC)c2CC=C)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.67
ABCG2 Q9UNQ0 2/20 0.55
TNFRSF1A P19438 1/20 0.54
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
FLT3 P36888 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL9114536 1.00 PTPN1 (0.67) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL9112321 0.92 PTPN1 (0.65) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL9112327 0.92 PTPN1 (0.65) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL9111958 0.92 PTPN1 (0.67) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL9111964 0.92 PTPN1 (0.67) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL9115272 0.90 PTPN1 (0.59) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL9112315 0.90 DPP4 (0.58) PTPN1ABCG2TNFRSF1A
SCHEMBL9112313 0.90 DPP4 (0.58) PTPN1ABCG2TNFRSF1A
SCHEMBL9115268 0.90 PTPN1 (0.59) PTPN1ABCG2TNFRSF1AMAPTLMNA
SCHEMBL7192300 0.88 PTPN1 (0.64) PTPN1ABCG2TNFRSF1AMAPTLMNA

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