SCHEMBL19789891

SCHEMBL19789891

C=C(C)C(=C)OCCc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.45
AKR1B1 P15121 1/20 0.45
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MTNR1A P48039 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
NQO2 P16083 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
ACP3 P15309 1/20 0.39
KCNA5 P22460 1/20 0.39
SCN5A Q14524 1/20 0.39

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
SCHEMBL31467476 0.85 CDYL (0.49) CDYLCHRM5CHRM1KDM4EMTNR1A
SCHEMBL68440 0.85 CDYL (0.49) CDYLCHRM5CHRM1KDM4EMTNR1A
Hydrochloric Acid SCHEMBL31467475 0.82 CDYL (0.47) CDYLCHRM5CHRM1KDM4EMTNR1A
SCHEMBL6989892 0.81 CDYL (0.53) CDYLCHRM5CHRM1KDM4EMTNR1A
SCHEMBL13703562 0.78 TDP1 (0.44) CDYLAKR1B1CHRM5CHRM1KDM4E
SCHEMBL5655818 0.76 TDP1 (0.53) CDYLCHRM5CHRM1KDM4EMTNR1A
SCHEMBL25310380 0.76 CDYL (0.46) CDYLKDM4EMTNR1ATDP1
SCHEMBL20917770 0.76 TDP1 (0.51) CDYLCHRM5CHRM1KDM4EMTNR1A
SCHEMBL28989701 0.75 TSHR (0.48) CDYLKDM4EMTNR1ATDP1
SCHEMBL791971 0.74 CYP1A2 (0.50) CDYLAKR1B1KDM4EMTNR1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1964893-B1 Ink composition, inkjet recording method, printed material, and ink set FUJIFILM CORP (JP) 2018-01-24 EP disclosed