SCHEMBL23617283

SCHEMBL23617283

Cc1cc2cc(C(=O)O)cc(C)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.44
▸ TPMT P51580 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ XDH P47989 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.37
▸ HCAR1 Q9BXC0 1/20 0.37
▸ ALOX15 P16050 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ MEN1 O00255 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
SCHEMBL9902751 0.84 CA12 (0.45) TPMTKDM4EALDH1A1CYP3A4MAPK1
SCHEMBL21437827 0.82 TPMT (0.47) TTRTPMTKDM4EALDH1A1CYP1A2
SCHEMBL23616986 0.81 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4MAOA
SCHEMBL23617246 0.77 MAPT (0.50) TTRTPMTKDM4EALDH1A1CYP1A2
SCHEMBL23617314 0.77 MAOB (0.58) TTRKDM4EALDH1A1MAOAMEN1
SCHEMBL28354314 0.73 CYP3A4 (0.39) KDM4EALDH1A1CYP1A2CYP3A4MAOA
SCHEMBL12302085 0.71 CA1 (0.44) KDM4EALDH1A1CYP1A2CYP3A4MAOA
SCHEMBL566569 0.70 TP53 (0.52) TTRKDM4EALDH1A1HRH3CA12
SCHEMBL20562778 0.70 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2CYP3A4MAOA
SCHEMBL11329835 0.69 TTR (0.54) TTRTPMTKDM4EALDH1A1GAA

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-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 — — EP disclosed
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