SCHEMBL13480846

SCHEMBL13480846

CC12C=CC(O1)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ PTPN1 P18031 3/20 0.47
▸ ALDH1A1 P00352 6/20 0.46
▸ CACNA1B Q00975 3/20 0.45
▸ APBA1 Q02410 3/20 0.45
▸ HPGD P15428 4/20 0.42
▸ HSP90AA1 P07900 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL14103265 0.82 CACNA1B (0.66) ARMEN1KMT2AALDH1A1CACNA1B
SCHEMBL4701653 0.82 CACNA1B (0.66) ARMEN1KMT2AALDH1A1CACNA1B
SCHEMBL3174063 0.82 CACNA1B (0.66) ARMEN1KMT2AALDH1A1CACNA1B
SCHEMBL3174073 0.82 CACNA1B (0.66) ARMEN1KMT2AALDH1A1CACNA1B
SCHEMBL13480845 0.82 CACNA1B (0.66) ARMEN1KMT2AALDH1A1CACNA1B
SCHEMBL4089587 0.81 PTPN1 (0.43) MEN1KMT2APTPN1ALDH1A1HPGD
SCHEMBL13480773 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CACNA1BAPBA1
SCHEMBL3194347 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CACNA1BAPBA1
SCHEMBL3194360 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CACNA1BAPBA1
SCHEMBL3194353 0.79 ALDH1A1 (0.53) MEN1KMT2AALDH1A1CACNA1BAPBA1

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
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
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