SCHEMBL10547849

SCHEMBL10547849

CCCCc1cnc(-c2ccc(C[C@@H](Cl)C(=O)O)cc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.59
▸ ALDH1A1 P00352 6/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ RAB9A P51151 5/20 0.47

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
SCHEMBL10545136 0.96 RARB (0.64) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL10548487 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL9236995 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL10552555 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL9434994 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL10547744 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL9238763 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL9236481 0.95 RARB (0.67) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL10545284 0.92 RARB (0.51) RARBALDH1A1MEN1MAPTKMT2A
SCHEMBL9008888 0.83 ALDH1A1 (0.61) RARBALDH1A1RAB9ASMN1; SMN2NPC1

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-4834904-A FERROELECTRIC LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-05-30 — — US disclosed
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