SCHEMBL22880668

SCHEMBL22880668

COc1ccc(C[C@@H](C(=O)O)N(C)C(=O)[C@H](Cc2ccccc2)NC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ PPARG P37231 1/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ LDHA P00338 1/20 0.47
▸ MMP3 P08254 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ CTSL P07711 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ ATM Q13315 1/20 0.44
▸ KEAP1 Q14145 1/20 0.43

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
SCHEMBL18588860 0.90 PPARG (0.43) PPARGPPARAMMP2MMP9
SCHEMBL18603450 0.88 FPR2 (0.51) KMT2AFPR2PPARGPPARALDHA
SCHEMBL18647235 0.81 LDHA (0.51) KMT2AFPR2PPARGPPARALDHA
SCHEMBL30688463 0.78 MMP9 (0.48) KMT2AMMP2MMP9
SCHEMBL10441796 0.76 ITGB3 (0.60) KMT2AFPR2PPARGPPARALDHA
SCHEMBL2494620 0.76 ITGB3 (0.60) KMT2AFPR2PPARGPPARALDHA
SCHEMBL18435372 0.76 NPC1 (0.56) KMT2AATM
SCHEMBL14493013 0.76 ITGB3 (0.60) KMT2AFPR2PPARGPPARALDHA
SCHEMBL18435195 0.76 MMP9 (0.62) MMP3MMP9
SCHEMBL16252286 0.76 MMP9 (0.62) MMP3MMP9

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-3347019-B1 PSMA-TARGETED NIR DYES AND THEIR USES ON TARGET LABORATORIES LLC (US) 2021-01-13 — — EP disclosed
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