SCHEMBL28293176

SCHEMBL28293176

NCc1cccc(C(=O)C(O)c2cccc(CN)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.55
CES1 P23141 3/20 0.55
LOXL2 Q9Y4K0 3/20 0.51
LMNA P02545 1/20 0.49
ENPP2 Q13822 1/20 0.42
CFD P00746 1/20 0.40
HTR2C P28335 1/20 0.39
F9 P00740 1/20 0.38
ADRA1D P25100 1/20 0.38
ANPEP P15144 2/20 0.38
ENPEP Q07075 2/20 0.38
PNMT P11086 1/20 0.38
FOLH1 Q04609 1/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28275646 0.80 LOXL2 (0.54) CES2CES1LOXL2ENPP2CFD
SCHEMBL22668308 0.78 LOXL2 (0.60) LOXL2ENPP2CFDHTR2CANPEP
SCHEMBL11215252 0.77 CES2 (0.62) CES2CES1LMNATSHR
SCHEMBL11215254 0.77 CES2 (0.62) CES2CES1LMNAFOLH1TSHR
SCHEMBL19859915 0.77 LMNA (0.67) CES2CES1LOXL2LMNACYP1A2
SCHEMBL19859914 0.77 CES2 (0.67) CES2CES1LOXL2LMNACFD
SCHEMBL27594322 0.75 LOXL2 (0.65) LOXL2ENPP2CFDHTR2CPNMT
SCHEMBL21700186 0.75 ENPP2 (0.54) LOXL2ENPP2ADRA1DPNMTPGK1
SCHEMBL6533707 0.75 ENPP2 (0.54) LOXL2ENPP2ADRA1DPNMTPGK1
SCHEMBL28291616 0.74 CES2 (0.53) CES2CES1LOXL2LMNATSHR

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
CN-109665953-A A method of preparing styrax class compound 盐城锦明药业有限公司 2019-04-23 CN disclosed