SCHEMBL29149150

SCHEMBL29149150

CC(C)c1c(O)cc(-c2cc(=O)c3cc(C#N)ccc3o2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 2/20 0.50
▸ AR P10275 1/20 0.47
▸ FTO Q9C0B1 3/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ CYP3A4 P08684 4/20 0.45
▸ HPGD P15428 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ IP6K2 Q9UHH9 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ CSNK2A2 P19784 5/20 0.44

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
SCHEMBL29149097 0.84 CSNK2A2 (0.52) TNKSABCB1MAPTCYP3A4HPGD
SCHEMBL312312 0.80 MAPT (0.71) TNKSARFTOMAPTCYP3A4
SCHEMBL30626951 0.80 FTO (0.72) TNKSARFTOABCB1MAPT
SCHEMBL29114186 0.80 FTO (0.72) TNKSARFTOABCB1MAPT
SCHEMBL29149084 0.80 MAPT (0.67) TNKSARABCB1MAPTCYP3A4
SCHEMBL38655536 0.71 FTO (0.70) TNKSARFTOABCB1MAPT
SCHEMBL5475607 0.71 HRH4 (0.34) ARMAPTCYP3A4SMN1; SMN2CSNK2A2
SCHEMBL31387426 0.70 TNKS (0.63) TNKSFTOABCB1MAPTCYP3A4
SCHEMBL19744156 0.70 ALDH1A1 (0.61) TNKSMAPTHPGDRAB9ALMNA
SCHEMBL11564846 0.70 AR (0.53) TNKSARMAPTCYP3A4HPGD

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-117447402-A Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof 德明药泰生物技术(深圳)有限公司 2024-01-26 — — CN disclosed
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