SCHEMBL23864648

SCHEMBL23864648

C=C(Nc1ccc(CCCO)cc1)c1cccc(F)c1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPKAPK2 P49137 1/20 0.40
▸ PLK1 P53350 2/20 0.39
▸ PLK3 Q9H4B4 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ CYP4A11 Q02928 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.36
▸ THRA P10827 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ITGB1 P05556 1/20 0.35

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
SCHEMBL23864237 0.81 POLB (0.45) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL23864228 0.78 ALDH1A1 (0.40) SMN1; SMN2KMT2AMAPTALDH1A1POLB
SCHEMBL16127942 0.77 MEN1 (0.49) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL16127937 0.77 PLK1 (0.46) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL23864298 0.72 ALDH1A1 (0.38) SMN1; SMN2KMT2AMAPTALDH1A1POLB
SCHEMBL23864567 0.71 POLB (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1POLB
SCHEMBL14645643 0.70 CYP4A11 (0.54) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL16088641 0.69 PLK1 (0.56) SMN1; SMN2ALDH1A1PLK1PLK3POLB
SCHEMBL16088692 0.69 PLK1 (0.58) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL16127933 0.68 ITGB1 (0.52) CYP3A4PLK1ALOX15ITGB1ITGA4

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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