SCHEMBL7987498

SCHEMBL7987498

CCOC(=O)C(c1ccc2c(c1)OCO2)C(O)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.44
OGA O60502 2/20 0.44

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
SCHEMBL7975974 0.81 MAPK9 (0.49) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL8789026 0.81 RAB9A (0.55) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL6138702 0.80 RAB9A (0.56) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL12053329 0.79 CYP3A4 (0.55) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL7502509 0.78 RAB9A (0.53) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL7332440 0.78 CYP3A4 (0.53) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL24580937 0.76 CYP3A4 (0.52) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL7841290 0.76 RAB9A (0.46) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL6975784 0.75 RAB9A (0.51) RAB9ANPC1CYP3A4CYP1A2CYP2D6
SCHEMBL6373806 0.75 RAB9A (0.51) RAB9ANPC1CYP3A4CYP1A2CYP2D6

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed