SCHEMBL24136176

SCHEMBL24136176

CCCCOc1cccc(F)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.59
LTB4R Q15722 2/20 0.51
LTB4R2 Q9NPC1 2/20 0.51
FAAH O00519 8/20 0.48
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PLK1 P53350 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20504730 0.92 PTPN1 (0.54) PTPN1LTB4RLTB4R2PPARAKDM4E
SCHEMBL28423316 0.89 CA12 (0.55) PTPN1PPARATP53TSHR
SCHEMBL5007630 0.85 L3MBTL1 (0.50) PTPN1L3MBTL1
SCHEMBL4992797 0.84 PTPN1 (0.50) PTPN1LTB4RLTB4R2KDM4EL3MBTL1
SCHEMBL26724903 0.84 NFKB1 (0.49) PTPN1LTB4RLTB4R2KDM4EL3MBTL1
SCHEMBL8277236 0.83 PTPN1 (0.55) PTPN1FAAHKDM4EL3MBTL1
SCHEMBL29109655 0.83 PPARA (0.58) PTPN1PPARATP53TSHRL3MBTL1
SCHEMBL6840729 0.83 KMT2A (0.51) PTPN1PPARAKDM4ETP53TSHR
SCHEMBL10339837 0.83 TP53 (0.50) PTPN1PPARATP53TSHR
SCHEMBL4960097 0.83 PTPN1 (0.60) PTPN1PPARA

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-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed