SCHEMBL10653044

SCHEMBL10653044

CC1(C)C=C(CBr)c2ccccc2O1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.33
KCNH2 Q12809 6/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
OPRK1 P41145 4/20 0.33
GLA P06280 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 0.32
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7738968 0.84 ALDH1A1 (0.35) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL10652225 0.82 ALDH1A1 (0.32) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL10653165 0.78 RARA (0.39) ALDH1A1MAPTHPGDRARARARB
SCHEMBL14031140 0.75 PKM (0.33) OPRD1KCNH2OPRK1
SCHEMBL10855574 0.75 HTT (0.43) KCNH2ALDH1A1CYP2D6
SCHEMBL10855580 0.75 GAA (0.45) ALDH1A1MAPTCYP2D6KDM4E
SCHEMBL7032951 0.74 PPIB (0.40) ALDH1A1MAPTHPGDGLAKDM4E
SCHEMBL6535545 0.73 ALDH1A1 (0.41) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL27313326 0.72 ALDH1A1 (0.37) OPRD1KCNH2ALDH1A1MAPTHPGD
SCHEMBL28075539 0.72 ALDH1A1 (0.35) OPRD1KCNH2ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0157267-B1 SUBSTITUTED BENZOPYRANS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1988-11-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 US disclosed
EP-0157267-A2 Substituted benzopyrans, process for their preparation and their use in medicines BAYER AG (DE) 1985-10-09 EP disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 EP disclosed
US-4382951-A FUNGICIDES SANDOZ LTD. (CH) 1983-05-10 US disclosed