SCHEMBL23864298

SCHEMBL23864298

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP4A11 Q02928 1/20 0.34
▸ SPHK1 Q9NYA1 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ THRA P10827 2/20 0.33
▸ THRB P10828 2/20 0.33

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
SCHEMBL23864228 0.90 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL23864449 0.90 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL23864623 0.85 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL16127932 0.73 ALOX15 (0.43) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL16127941 0.73 ALOX15 (0.43) ALDH1A1MAPTKMT2AGAAHTT
SCHEMBL23864648 0.72 SMN1; SMN2 (0.40) ALDH1A1MAPTKMT2ALMNAPOLB
SCHEMBL23864206 0.70 POLB (0.46) ALDH1A1MAPTLMNAPOLBNPC1
SCHEMBL21207989 0.69 CES2 (0.41) ALDH1A1CYP1A2
SCHEMBL23864722 0.69 ALDH1A1 (0.40) ALDH1A1KMT2AHTTLMNA
SCHEMBL23864215 0.68 POLB (0.44) ALDH1A1LMNAPOLBNPC1RAB9A

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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