SCHEMBL9774142

SCHEMBL9774142

O=C(O)CCCOc1ccccc1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 13/20 0.60
HPGD P15428 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 2/20 0.57
DRD1 P21728 5/20 0.56
DRD2 P14416 4/20 0.56
DRD4 P21917 4/20 0.56
DRD5 P21918 4/20 0.56
DRD3 P35462 4/20 0.55
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL4576519 0.81 L3MBTL1 (0.63) HRH1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL5249495 0.81 HRH1 (0.66) HRH1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL7089438 0.81 LTB4R (0.55) SMN1; SMN2CYP2C9TSHRLMNA
SCHEMBL1115043 0.80 LMNA (0.56) SMN1; SMN2LMNAKDM4E
SCHEMBL19733216 0.80 HPGD (0.67) HRH1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL4350513 0.80 HPGD (0.67) HRH1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL7087899 0.79 LTB4R (0.54) HRH1HPGDSMN1; SMN2CYP2C9TSHR
SCHEMBL28986001 0.78 HPGD (0.60) HRH1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL5146718 0.78 HRH1 (0.71) HRH1HPGDSMN1; SMN2TP53CYP1A2
SCHEMBL11033196 0.78 HPGD (0.81) HRH1HPGDSMN1; SMN2TP53CYP1A2

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
US-4983623-A Prolyl endopeptidase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-08 US disclosed