SCHEMBL23864209

SCHEMBL23864209

C=C(C)c1ccc(CNC(=O)c2cc(F)ccc2C(=C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.51
▸ PTGER2 P43116 1/20 0.51
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PYGL P06737 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PPARG P37231 1/20 0.42

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
SCHEMBL23864722 0.86 ALDH1A1 (0.40) PTGER4PTGER2LMNAKMT2APYGL
SCHEMBL16088644 0.82 KMT2A (0.60) PTGER4PTGER2LMNAKMT2ACYP1A2
SCHEMBL16127850 0.80 PTGER4 (0.67) PTGER4PTGER2KMT2ACYP1A2CYP2C19
SCHEMBL23864280 0.80 PYGL (0.53) PTGER4PTGER2LMNAKMT2ACYP1A2
SCHEMBL16088672 0.79 PTGER4 (0.63) PTGER4PTGER2LMNAKMT2ACYP1A2
SCHEMBL16127851 0.77 PTGER4 (0.67) PTGER4PTGER2KMT2ACYP1A2CYP2C19
SCHEMBL16088682 0.74 APEX1 (0.74) LMNAKMT2ACYP1A2CYP2C19L3MBTL1
SCHEMBL19799450 0.74 PTGER4 (0.54) PTGER4PTGER2LMNAKMT2ACYP1A2
SCHEMBL24735202 0.72 PTGER4 (0.61) PTGER4PTGER2LMNAKMT2ACYP1A2
SCHEMBL31518952 0.72 PTGER4 (0.61) PTGER4PTGER2LMNAKMT2ACYP1A2

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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