SCHEMBL27968280

SCHEMBL27968280

CC(C)CC(CC(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
ACLY P53396 3/20 0.35
CPT2 P23786 2/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
FFAR1 O14842 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL2139826 0.85 GRM2 (0.39) CYP2D6TSHRCYP2C19ALDH1A1GRM2
SCHEMBL3896850 0.78 GRM2 (0.36) CYP2D6CYP2C19ALDH1A1GRM2GRM3
SCHEMBL7624691 0.76 GRM2 (0.35) CYP2D6CYP2C19ALDH1A1GRM2GRM3
SCHEMBL537136 0.76 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL27587659 0.76 GRM2 (0.39) CYP2D6CYP2C19ADRA1AGRM2GRM3
SCHEMBL28312 0.76 ALDH1A1 (0.53) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL5552394 0.76 MMP8 (0.41) CYP2C19ALDH1A1LMNA
SCHEMBL11095261 0.75 ADRA1A (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28710919 0.74 ALDH1A1 (0.61) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL28796367 0.74 TSHR (0.41) CYP2D6TSHRCYP2C19HIF1AALDH1A1

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
CN-103857651-B For the preparation of the method for dibasic succinate SAUDI BASIC INDUSTRIES CORP. (SA) 2016-05-04 CN disclosed
CN-103857651-A Process for preparing di-substituted succinates SAUDI BASIC IND CORP 2014-06-11 CN disclosed