SCHEMBL28182261

SCHEMBL28182261

CC1=CC=C(O)C(C)C1=Nc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 1/20 0.33
▸ NOS3 P29474 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28199278 0.81 KDM4E (0.30) MEN1KMT2A
SCHEMBL28744331 0.69 NOS3 (0.31) NOS3NOS1
SCHEMBL4402316 0.66 ALDH1A1 (0.42) FTONOS3NOS1
SCHEMBL4403128 0.58 MAPK1 (0.41) NOS3NOS1MEN1KMT2A
SCHEMBL20198311 0.57 MAPK1 (0.41) NOS3NOS1
SCHEMBL2204413 0.55 ALDH1A1 (0.55) NOS3NOS1MEN1NPC1KMT2A
SCHEMBL18805368 0.55 ALDH1A1 (0.55) NOS3NOS1MEN1NPC1KMT2A
Azobenzene SCHEMBL23630838 0.53 ALDH1A1 (0.67) FTOMEN1NPC1KMT2A
Azobenzene SCHEMBL182577 0.52 ALDH1A1 (0.92) FTOMEN1NPC1KMT2A
Azobenzene SCHEMBL182578 0.52 ALDH1A1 (0.92) FTOMEN1NPC1KMT2A

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
CN-105085729-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-01-23 — — CN disclosed
CN-105085726-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 — — CN disclosed
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