SCHEMBL23864449

SCHEMBL23864449

C=C(C)c1ccc(F)cc1C(=C)Nc1ccc(CCCC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ GAA P10253 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ POLB P06746 1/20 0.46
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ MAPK1 P28482 2/20 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
SCHEMBL23864623 0.95 ALDH1A1 (0.49) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL23864298 0.90 ALDH1A1 (0.38) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL23864228 0.81 ALDH1A1 (0.40) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL23864206 0.80 POLB (0.46) ALDH1A1MAPTPOLBRAB9ANPC1
SCHEMBL23864215 0.78 POLB (0.44) ALDH1A1POLBRAB9ANPC1HPGD
SCHEMBL23864237 0.77 POLB (0.45) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL16088639 0.75 TRPV1 (0.53) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL16088693 0.75 TRPV1 (0.53) ALDH1A1GAAMAPTKMT2AHTT
SCHEMBL23864195 0.73 ALOX15 (0.41) GAAPOLBRAB9ANPC1HPGD
SCHEMBL23864295 0.72 POLB (0.46) ALDH1A1GAAMAPTKMT2APOLB

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
EP-2968330-B1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS SCRIPPS RESEARCH INST (US) 2021-09-29 — — EP disclosed
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