SCHEMBL14959101

SCHEMBL14959101

CCC(C)(CC)CCc1ccc([C@H]2[C@@H](C(=O)Nc3cccc(C(C)(C)C)c3)CCCN2C(=O)c2c(C)cccc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.37
▸ UBE2M P61081 3/20 0.36
▸ DCUN1D1 Q96GG9 3/20 0.36
▸ RHOA P61586 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ CCR1 P32246 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ GIPR P48546 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ACKR3 P25106 2/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 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
SCHEMBL18609279 0.94 MAPK14 (0.36) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL14960531 0.94 MAPK14 (0.36) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL14959097 0.93 MAPK14 (0.38) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL21163857 0.93 MAPK14 (0.37) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL18790204 0.93 MAPK14 (0.37) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL14960519 0.93 MAPK14 (0.37) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL17805437 0.93 MAPK14 (0.37) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL14959090 0.92 MAPK14 (0.37) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL20879804 0.91 MAPK14 (0.37) MAPK14UBE2MDCUN1D1RHOAALDH1A1
SCHEMBL12176249 0.91 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445515-B2 C5aR antagonists CHEMOCENTRYX, INC. (US) 2013-05-21 — — US disclosed
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