SCHEMBL8627404

SCHEMBL8627404

COc1ccc2c(c1)C=C(C=O)CO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
MTNR1A P48039 2/20 0.52
ALOX5 P09917 2/20 0.50
SHMT2 P34897 1/20 0.49
NR1H4 Q96RI1 2/20 0.48
PTGS1 P23219 2/20 0.47
PTGS2 P35354 2/20 0.47
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL9729530 0.88 ALOX5 (0.54) MAOBMTNR1AALOX5SHMT2NR1H4
SCHEMBL31544361 0.88 ALOX5 (0.54) MAOBMTNR1AALOX5SHMT2NR1H4
SCHEMBL29381912 0.84 MAOB (0.53) MAOBMTNR1AALOX5SHMT2NR1H4
SCHEMBL9729708 0.81 ALOX5 (0.54) MAOBALOX5PTGS1PTGS2ALOX12
SCHEMBL10310537 0.80 PTGS1 (0.46) MAOBALOX5NR1H4PTGS1PTGS2
SCHEMBL7202221 0.80 ALOX5 (0.56) MAOBMTNR1AALOX5MAPTKDM4E
SCHEMBL266611 0.78 MTNR1A (0.53) MAOBMTNR1AALOX5SHMT2NR1H4
SCHEMBL10088476 0.77 PTGS1 (0.44) MAOBALOX5NR1H4PTGS1PTGS2
SCHEMBL9729518 0.77 ALOX5 (0.59) MAOBALOX5ALDH1A1NPC1HPGD
SCHEMBL9158923 0.77 MAOB (0.64) MAOBMTNR1AALOX5SHMT2NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5717106-A THERMAL DYE TRANSFER IMAGING EASTMAN KODAK COMPANY (US) 1998-02-10 US disclosed
US-5712223-A YELLOW DYES WITH IMPROVED EFFICIENCY EASTMAN KODAK COMPANY (US) 1998-01-27 US disclosed
US-5162540-A Process for the production of (+) biotin LONZA LTD. (CH) 1992-11-10 US disclosed
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed