SCHEMBL21415519

SCHEMBL21415519

CC(C)(C)c1cc2c(cc1S)CCC2

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ATP2A2 P16615 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ ATP2A3 Q93084 1/20 0.31
▸ GRIN2D O15399 1/20 0.30
▸ GRIN3B O60391 1/20 0.30
▸ GRIN1 Q05586 1/20 0.30
▸ GRIN2A Q12879 1/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ GRIN2C Q14957 1/20 0.30
▸ GRIN3A Q8TCU5 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
SCHEMBL11977464 0.74 HPGD (0.34) HPGDKDM4EALDH1A1CYP1A2MAPT
SCHEMBL2788382 0.74 ALDH1A1 (0.58) HPGDKDM4EALDH1A1CYP1A2MAPT
SCHEMBL6514023 0.71 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL19398843 0.70 HPGD (0.34) HPGDKDM4EALDH1A1CYP1A2MAPT
SCHEMBL1045964 0.70 ALDH1A1 (0.58) HPGDKDM4EALDH1A1CYP1A2MAPT
SCHEMBL22860941 0.69 MAPT (0.32) MAPT
SCHEMBL6521032 0.69 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL6514675 0.69 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL6514669 0.69 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2MAPTALOX15
SCHEMBL16239320 0.68 MEN1 (0.46) KDM4EALDH1A1CYP1A2MAPTALOX15

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
EP-3546521-A1 POLYCARBONATE RESIN COMPOSITION Mitsubishi Engineering-Plastics Corporation (JP) 2019-10-02 — — EP disclosed
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