SCHEMBL9354151

SCHEMBL9354151

O=C(C/C(=C/c1ccccc1)C(=O)O)NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.60
EPHX2 P34913 2/20 0.57
RAB9A P51151 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
EPHX1 P07099 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 2/20 0.48
TSHR P16473 1/20 0.48
ATM Q13315 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9354145 1.00 THRB (0.60) THRBEPHX2RAB9AKMT2ANPC1
SCHEMBL9354154 1.00 THRB (0.60) THRBEPHX2RAB9AKMT2ANPC1
SCHEMBL601098 0.84 EPHX2 (0.61) EPHX2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL601097 0.84 EPHX2 (0.61) EPHX2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL4740680 0.76 CYP3A4 (0.51) EPHX2RAB9ANPC1EPHX1CYP3A4
SCHEMBL3856454 0.76 CYP3A4 (0.51) EPHX2RAB9ANPC1EPHX1CYP3A4
SCHEMBL4743549 0.74 CYP3A4 (0.53) EPHX2RAB9ANPC1CYP3A4
SCHEMBL3191512 0.73 CYP3A4 (0.56) RAB9AKMT2ANPC1ALDH1A1MEN1
SCHEMBL3397254 0.73 EPHX2 (1.00) EPHX2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL5051924 0.73 EPHX2 (1.00) EPHX2RAB9AKMT2ANPC1ALDH1A1

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
JP-6107613-A None JP disclosed
JP-H06107613-A NEW SUCCINIC ACID DERIVATIVE KISSEI PHARMACEUT CO LTD 1994-04-19 JP disclosed