SCHEMBL3939320

SCHEMBL3939320

COC(=O)Cc1ccc(OS(=O)(=O)C(F)(F)F)c(CN2CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ SOS1 Q07889 2/20 0.39
▸ DDR1 Q08345 5/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3939039 0.88 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2APKM
SCHEMBL3939019 0.84 GLS (0.43) CHRM2DDR1KDM4EALDH1A1CHRM3
SCHEMBL3929761 0.77 NPSR1 (0.47) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL3933437 0.77 CCR5 (0.55) —
Piperazine SCHEMBL27767250 0.76 NPSR1 (0.46) CYP1A2CHRM2SLC6A4OPRD1OPRK1
SCHEMBL5738807 0.76 CA5A (0.51) CYP1A2KDM4EALDH1A1KMT2A
SCHEMBL2126108 0.76 CYP4F2 (0.43) ALDH1A1PKM
SCHEMBL30154424 0.76 CYP4F2 (0.43) ALDH1A1PKM
SCHEMBL2127345 0.76 CYP4F2 (0.43) ALDH1A1PKML3MBTL1
SCHEMBL4842048 0.76 CA5A (0.58) CYP1A2KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044044-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2009-04-08 — — EP disclosed
WO-2007143745-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-13 — — WO disclosed
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