SCHEMBL4367977

SCHEMBL4367977

O=Cc1ccc2cc(O)c(F)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 1/20 0.48
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
CYP2A6 P11509 4/20 0.42
ALDH1A1 P00352 4/20 0.41
ALDH5A1 P51649 3/20 0.41
ABAT P80404 3/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
SNCA P37840 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL13419486 0.86 CYP2A6 (0.44) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL10445586 0.86 KDM4E (0.64) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL29465560 0.82 KDM4E (0.64) KDM4EPTGS2RAB9AESR1ESR2
SCHEMBL219109 0.82 KDM4E (0.64) KDM4EPTGS2RAB9AESR1ESR2
SCHEMBL26793694 0.81 ESR1 (0.42) ESR1ESR2ALDH1A1SNCAKDM1A
SCHEMBL7947237 0.79 KDM4E (0.50) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL1922774 0.78 KDM4E (0.64) KDM4EPTGS2RAB9AALDH1A1ALDH5A1
SCHEMBL19182196 0.77 CYP2A6 (0.50) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL9883838 0.77 CYP2A6 (0.50) KDM4EPTGS2RAB9ACYP2A6ALDH1A1
SCHEMBL30972495 0.77 CYP2A6 (0.50) KDM4EPTGS2RAB9ACYP2A6ALDH1A1

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-7540991-B2 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. (JP) 2009-06-02 US disclosed
EP-1615286-B1 Ion conductive polymer electrolyte membrane and production method for the same POLYMATECH CO LTD (JP) 2007-09-12 EP disclosed
EP-1615286-A1 Ion conductive polymer electrolyte membrane and production method for the same Polymatech Co., Ltd. (JP) 2006-01-11 EP disclosed
US-20060004112-A1 Molecular chains of the liquid crystalline polymer (e.g. polybenzoxazole, polybenzothiazole, and polybenzimidazole) having an ionic disosciative group and molecular chain orientated in a specific direction; allows permeation of hydrogen ions generated at a fuel electrode (anode) to cathode POLYMATECH CO., LTD. 2006-01-05 US disclosed