SCHEMBL28306708

SCHEMBL28306708

NCc1ccc(C(CC(=O)O)(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.45
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP1A2 P05177 3/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
TSHR P16473 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
HDAC1 Q13547 1/20 0.39
SLC13A5 Q86YT5 5/20 0.39
AKR1B1 P15121 1/20 0.38
ABCC4 O15439 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PTGS1 P23219 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL374784 0.86 CYP2C19 (0.57) CYP2C19HIF1ACYP1A2TSHRCYP2D6
SCHEMBL28437734 0.81 CYP2C9 (0.53) KIF11CYP2C19HIF1ACYP1A2TSHR
SCHEMBL28305537 0.81 CYP2C19 (0.48) KIF11CYP2C19HIF1ACYP1A2TSHR
SCHEMBL28305527 0.79 CYP2C19 (0.52) KIF11CYP2C19HIF1ALMNAHTT
SCHEMBL28874852 0.79 CYP2C19 (0.56) KIF11CYP2C19HIF1ACYP1A2SLC13A5
SCHEMBL28442638 0.79 ALDH1A1 (0.50) KIF11CYP2C19HIF1ATSHRSLC13A5
SCHEMBL28305641 0.79 KCNN4 (0.51) KIF11CYP2C19HIF1ACYP1A2
SCHEMBL28305534 0.78 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2TSHRCYP2D6
SCHEMBL4016404 0.77 HIF1A (0.43) KIF11CYP2C19HIF1ACYP1A2CYP2C9
SCHEMBL28306717 0.75 KCNN4 (0.51) KIF11CYP2C19HIF1ACYP1A2SMN1; SMN2

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-110028403-A A kind of method of synthesizing succinic acid class compound 四川大学 2019-07-19 CN disclosed