SCHEMBL10697033

SCHEMBL10697033

Cc1cc(C2CCCCC2)c(O)c(C)c1Cc1c(C)cc(C2CCCCC2)c(O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
PSMB5 P28074 1/20 0.35
PTGDR2 Q9Y5Y4 2/20 0.35
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
CHRM1 P11229 2/20 0.33
ADRA1A P35348 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL21808459 0.82 KDM4E (0.42) MEN1KMT2AKDM4EMAPTNUDT1
SCHEMBL10698817 0.81 KDM4E (0.41) MEN1KMT2AKDM4EMAPTNUDT1
SCHEMBL11310170 0.80 KDM4E (0.36) MEN1KMT2AKDM4EMAPTNUDT1
SCHEMBL11318649 0.79 KDM4E (0.37) MEN1KMT2AKDM4EMAPTNUDT1
SCHEMBL11023683 0.79 CYP1A2 (0.32) MEN1KMT2AKDM4EMAPTPTGDR2
SCHEMBL11478194 0.78 S1PR1 (0.41) MEN1KMT2AKDM4EMAPTPTGDR2
SCHEMBL28386966 0.75 KDM4E (0.39) MEN1KMT2AKDM4EMAPTNUDT1
SCHEMBL11472304 0.75 EPHX2 (0.40) MEN1KMT2AKDM4EMAPTPTGDR2
SCHEMBL3188063 0.75 NUDT1 (0.36) MEN1KMT2AKDM4EMAPTNUDT1
SCHEMBL29636489 0.75 NUDT1 (0.36) MEN1KMT2AKDM4EMAPTNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280240-A2 Cephalosporin derivatives, process for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1988-08-31 EP disclosed
EP-0273864-A2 Diphenylmethanes CIBA-GEIGY AG (CH) 1988-07-06 EP disclosed