SCHEMBL10401115

SCHEMBL10401115

COc1ccc(C=C(CO)[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ EGFR P00533 1/20 0.44
▸ ERBB2 P04626 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2A6 P11509 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ GSK3B P49841 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42

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
SCHEMBL17261448 0.89 FBP1 (0.51) FBP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL17261449 0.89 FBP1 (0.51) FBP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL14463648 0.86 FBP1 (0.49) FBP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL8867117 0.86 FBP1 (0.49) FBP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL13904546 0.80 VCP (0.54) ALDH1A1KDM4EMAPTHPGDEGFR
SCHEMBL4227927 0.78 FBP1 (0.42) FBP1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL4227930 0.78 FBP1 (0.42) FBP1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL4227933 0.78 FBP1 (0.42) FBP1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL9657482 0.78 FBP1 (0.62) FBP1ALDH1A1KDM4EMAPTHPGD
SCHEMBL9656291 0.78 FBP1 (0.62) FBP1ALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4980096-A Protective coatings; adhesives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-25 — — US disclosed
US-4740600-A UNBLOCKING WITH ACTINIC RADIATION; PROTECTIVE COATING; THERMOPLASTIC RESIN MIXTURES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1988-04-26 — — US disclosed
US-4599273-A PROTECTIVE COATINGS, PRESSURE SENSITIVE ADHESIVES MINNESOTA MINING AND MANUFACTURING CO. (US) 1986-07-08 — — US disclosed
US-4478967-A Photolabile blocked surfactants and compositions containing the same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-23 — — US disclosed
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