SCHEMBL9114023

SCHEMBL9114023

CCCc1c(C=CC(=O)c2ccc(OCC)cc2)cc(OC(C)C)cc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
CYP1A1 P04798 1/20 0.48
CYP1B1 Q16678 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 9/20 0.47
MAOA P21397 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46
PTPN1 P18031 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 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
SCHEMBL9114006 1.00 DPP4 (0.48) DPP4CYP1A1CYP1B1MAPTKDM4E
SCHEMBL9114434 0.91 TNFRSF1A (0.54) DPP4CYP1A1CYP1B1MAPTKDM4E
SCHEMBL9114446 0.91 TNFRSF1A (0.54) DPP4CYP1A1CYP1B1MAPTKDM4E
SCHEMBL9114929 0.90 PTPN1 (0.49) DPP4CYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL9114936 0.90 PTPN1 (0.49) DPP4CYP1A1CYP1B1MAPTSMN1; SMN2
SCHEMBL9114298 0.89 CAPN1 (0.46) DPP4MAOBABCG2PTPN1
SCHEMBL9112043 0.89 CAPN1 (0.46) DPP4MAOBABCG2PTPN1
SCHEMBL9114615 0.88 PTPN1 (0.56) DPP4CYP1A1CYP1B1MAPTKDM4E
SCHEMBL9114610 0.88 PTPN1 (0.56) DPP4CYP1A1CYP1B1MAPTKDM4E
SCHEMBL9114051 0.87 DPP4 (0.54) DPP4CYP1A1CYP1B1MAPTKDM4E

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-1995012628-A1 CONJUGATED POLYMER EXCIPLEXES AND APPLICATIONS THEREOF RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-05-11 WO disclosed