SCHEMBL23864237

SCHEMBL23864237

C=C(Nc1ccc(CCCC)cc1)c1cccc(F)c1C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PLK1 P53350 2/20 0.42
▸ PLK3 Q9H4B4 1/20 0.42
▸ DGAT1 O75907 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PCSK9 Q8NBP7 1/20 0.40
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CASP3 P42574 1/20 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
SCHEMBL23864305 0.83 NPC1 (0.47) POLBALDH1A1KMT2ANPC1RAB9A
SCHEMBL23864648 0.81 SMN1; SMN2 (0.40) POLBALDH1A1KMT2AMAPTPLK1
SCHEMBL23864295 0.79 POLB (0.46) POLBALDH1A1KMT2AGAAMAPT
SCHEMBL23864449 0.77 ALDH1A1 (0.49) POLBALDH1A1KMT2AGAAMAPT
SCHEMBL23864623 0.77 ALDH1A1 (0.49) POLBALDH1A1KMT2AGAAMAPT
SCHEMBL23864564 0.76 NPC1 (0.50) POLBALDH1A1KMT2AGAAMAPT
SCHEMBL16088641 0.76 PLK1 (0.56) POLBALDH1A1GAAPLK1PLK3
SCHEMBL16088692 0.76 PLK1 (0.58) POLBALDH1A1KMT2AGAAMAPT
SCHEMBL23864310 0.76 PLK1 (0.43) ALDH1A1KMT2AMAPTPLK1PLK3
SCHEMBL23864567 0.75 POLB (0.50) POLBALDH1A1KMT2AGAANPC1

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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