SCHEMBL10550483

SCHEMBL10550483

CC1(C)CCC(=O)c2cc3c(=O)cc(-c4ccc(C(=O)O)cc4)oc3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 4/20 0.51
▸ ABCB1 P08183 1/20 0.43
▸ ABCC1 P33527 1/20 0.43
▸ RARB P10826 7/20 0.41
▸ RARG P13631 7/20 0.41
▸ RXRA P19793 5/20 0.41
▸ RARA P10276 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL8553327 0.87 TNKS (0.57) TNKSABCB1ABCC1RARBRARG
SCHEMBL10550637 0.75 TNKS (0.62) TNKSKDM4ETP53HSD17B10HPGD
SCHEMBL9833244 0.74 MAOB (0.49) TNKSABCB1KDM4ETP53HSD17B10
SCHEMBL9866561 0.73 RARB (0.61) ABCB1ABCC1RARBRARGRXRA
SCHEMBL25201659 0.72 KDM4E (0.73) TNKSABCB1KDM4ETP53HSD17B10
SCHEMBL6292577 0.72 RARB (0.51) RARBRARGRXRARARAKDM4E
SCHEMBL25204150 0.71 KDM4E (0.73) TNKSABCB1KDM4ETP53HSD17B10
SCHEMBL28043561 0.70 CSNK2A2 (0.72) TNKSABCB1ABCC1KDM4ETP53
SCHEMBL6423981 0.69 RARB (0.68) RARBRARGRXRARARA
SCHEMBL8771700 0.69 RXRA (0.67) RARBRARGRXRARARARXRB

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
US-4831052-A DIFFERENTIATION-INDUCING AGENT FOR CERTAIN MALIONANT CELLS SHIONOGI & CO., LTD. (JP) 1989-05-16 — — US claimed
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