SCHEMBL4378587

SCHEMBL4378587

O=CC=Cc1ccccc1-c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.56
CCND1 P24385 4/20 0.56
BACE1 P56817 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
ABL1 P00519 2/20 0.44
ABCB1 P08183 2/20 0.44
BCR P11274 2/20 0.44
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
ESR2 Q92731 1/20 0.41
PELI1 Q96FA3 2/20 0.40
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP3 P08254 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
SCHEMBL1478041 0.85 CDK4 (0.53) CDK4CCND1BACE1ALDH1A1CCNB2
SCHEMBL9421131 0.85 CDK4 (0.53) CDK4CCND1BACE1ALDH1A1CCNB2
SCHEMBL9421139 0.85 CDK4 (0.53) CDK4CCND1BACE1ALDH1A1CCNB2
SCHEMBL9244314 0.83 ALDH1A1 (0.48) CDK4CCND1BACE1ALDH1A1CCNB2
SCHEMBL9244312 0.83 ALDH1A1 (0.48) CDK4CCND1BACE1ALDH1A1CCNB2
SCHEMBL5725728 0.82 CDK4 (0.47) CDK4CCND1ALDH1A1CCNB2CDK1
SCHEMBL7935139 0.82 CDK4 (0.47) CDK4CCND1BACE1ALDH1A1MAPT
SCHEMBL8921603 0.82 CDK4 (0.47) CDK4CCND1ALDH1A1MAPTCCNB2
SCHEMBL7935137 0.82 CDK4 (0.47) CDK4CCND1BACE1ALDH1A1MAPT
SCHEMBL5013561 0.81 XDH (0.51) BACE1ABL1ABCB1BCRESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed