SCHEMBL21163857

SCHEMBL21163857

Cc1cccc(F)c1C(=O)N1CCCC(C(=O)Nc2cccc(C(C)(C)C)c2)C1c1ccc(CCC(C)(C)O)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ UBE2M P61081 2/20 0.36
▸ DCUN1D1 Q96GG9 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ CCR1 P32246 1/20 0.35
▸ RHOA P61586 2/20 0.34
▸ GCGR P47871 1/20 0.34
▸ GIPR P48546 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ ACKR3 P25106 2/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL18790204 1.00 MAPK14 (0.37) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL17805437 1.00 MAPK14 (0.37) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL14960519 1.00 MAPK14 (0.37) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL14959097 0.95 MAPK14 (0.38) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL15088237 0.95 RXFP1 (0.37) MAPK14UBE2MDCUN1D1ALDH1A1RXFP1
SCHEMBL18609279 0.94 MAPK14 (0.36) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL14960531 0.94 MAPK14 (0.36) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL12176260 0.93 UBE2M (0.37) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL14959101 0.93 MAPK14 (0.37) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10
SCHEMBL21163622 0.92 MAPK14 (0.37) MAPK14UBE2MDCUN1D1ALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015504-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2022-06-22 — — EP disclosed
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 — — EP disclosed
EP-3508477-A1 C5AR ANTAGONISTS ChemoCentryx, Inc. (US) 2019-07-10 — — EP disclosed
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