SCHEMBL27710784

SCHEMBL27710784

O=C(O)c1cc(CCCCCl)cc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.40
▸ RARB P10826 7/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RARA P10276 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ TTR P02766 1/20 0.38
▸ CTRC Q99895 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ FOLH1 Q04609 1/20 0.36

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
SCHEMBL27389337 0.98 RARB (0.41) TPMTRARBMEN1KMT2AALDH1A1
SCHEMBL27951871 0.85 TPMT (0.44) TPMTMEN1KMT2AALDH1A1MAPT
SCHEMBL27485851 0.81 CYP4A11 (0.46) ALDH1A1CA12CA1CA2CA7
SCHEMBL16749638 0.80 CA12 (0.48) TPMTMEN1KMT2AALDH1A1MAPT
SCHEMBL27388069 0.80 RARB (0.42) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8413501 0.80 RARB (0.61) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL7544521 0.80 RARB (0.42) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL6139365 0.80 RARB (0.61) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL27829550 0.79 CYP4A11 (0.44) TPMTRARBALDH1A1MAPTCA12
SCHEMBL9096952 0.78 RARB (0.41) RARBMEN1KMT2AALDH1A1RARA

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-100402032-C Tetrahydroquinoline analogs as muscarinic agonists ACADIA PHARM INC (US) 2008-07-16 — — CN disclosed
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