SCHEMBL31472801

SCHEMBL31472801

CC(C)(C)c1c(O)c(C(=O)O)c(O)c(C(C)(C)C)c1Cc1c(C(C)(C)C)c(O)c(C(=O)O)c(O)c1C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.48
GLRB P48167 1/20 0.48
CD69 Q07108 1/20 0.34
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
FASN P49327 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19193905 0.78 GLRA3 (0.52) GLRA3GLRBCD69LDHALDHB
SCHEMBL19193287 0.78 GLRA3 (0.56) GLRA3GLRBCD69LDHALDHB
SCHEMBL7065132 0.71 GLRA3 (0.46) GLRA3GLRBALDH1A1
SCHEMBL14989129 0.71 GLRA3 (0.46) GLRA3GLRBALDH1A1
SCHEMBL19194000 0.71 GLRA3 (0.48) GLRA3GLRBCD69LDHALDHB
SCHEMBL28473202 0.71 BID (0.42)
SCHEMBL15861937 0.71 BID (0.42)
SCHEMBL28719875 0.71 GLRA3 (0.44) GLRA3GLRBCYP2C19SMN1; SMN2ALDH1A1
SCHEMBL11372087 0.70 GLRA3 (0.47) GLRA3GLRBLDHALDHB
SCHEMBL19203147 0.69 GLRA3 (0.47) GLRA3GLRBLDHACYP2C9CYP2C19

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-119775092-A Dispersing type antisludging agent for styrene device, and preparation method and use method thereof 浙江杭化科技股份有限公司 2025-04-08 CN claimed
CN-119775092-A Dispersing type antisludging agent for styrene device, and preparation method and use method thereof 浙江杭化科技股份有限公司 2025-04-08 CN disclosed