SCHEMBL28435577

SCHEMBL28435577

CC(CC(=O)O)(C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SLC13A5 Q86YT5 1/20 0.47
LMNA P02545 3/20 0.44
GAA P10253 2/20 0.44
ABCC4 O15439 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
FFAR1 O14842 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN5 P54829 1/20 0.41
CYP1A2 P05177 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3719792 0.89 CYP2C19 (0.64) HIF1ACYP2C19SLC13A5TSHRMAPT
SCHEMBL11138820 0.89 CYP2C19 (0.52) HIF1ACYP2C9CYP2C19SLC13A5TSHR
SCHEMBL11508350 0.81 HIF1A (0.55) HIF1ACYP2C9CYP2C19SLC13A5LMNA
SCHEMBL7565919 0.81 CYP2C9 (0.50) CYP2C9SLC13A5LMNAGAAHTT
SCHEMBL10972965 0.80 CYP2C19 (0.44) HIF1ACYP2C19SLC13A5TSHRHTT
SCHEMBL10803560 0.79 CYP2C9 (0.49) HIF1ACYP2C9LMNAGAAABCC4
SCHEMBL30960482 0.78 CYP2C9 (0.47) CYP2C9CYP2C19GAAMAPTSMN1; SMN2
SCHEMBL29178240 0.78 CYP2C9 (0.55) HIF1ACYP2C9CYP2C19SLC13A5LMNA
SCHEMBL28437734 0.76 CYP2C9 (0.53) HIF1ACYP2C9CYP2C19SLC13A5LMNA
SCHEMBL3087883 0.75 CYP2C9 (0.61) CYP2C9LMNAGAAABCC4TSHR

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-B Method for synthesizing succinic acid compound 四川大学 2020-08-11 CN disclosed