SCHEMBL30607066

SCHEMBL30607066

CC(C)Nc1c(O)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ HPGD P15428 4/20 0.48
▸ CA12 O43570 3/20 0.48
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA7 P43166 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ CA14 Q9ULX7 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HMGB1 P09429 1/20 0.48
▸ CA4 P22748 1/20 0.48
▸ CA6 P23280 1/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ G6PD P11413 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ PTPN11 Q06124 2/20 0.47
▸ HSD17B10 Q99714 3/20 0.43
▸ PLK1 P53350 1/20 0.43

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
SCHEMBL21722620 1.00 KDM4E (0.48) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL9412049 0.81 MMP2 (0.50) KDM4EALDH1A1HPGDSMN1; SMN2G6PD
SCHEMBL1681296 0.79 CA12 (0.54) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL27926512 0.79 SELL (0.52) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL25258585 0.76 PTPN11 (0.55) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL31046806 0.76 PTPN11 (0.55) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL9412060 0.76 TSHR (0.58) KDM4EALDH1A1SMN1; SMN2CASP6CDC25B
SCHEMBL12954623 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL30195450 0.76 PTPN11 (0.58) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL27446615 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HPGDCA12CA1

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-112867751-B Dispersants for coating systems 巴斯夫欧洲公司 2023-10-27 — — CN disclosed
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