SCHEMBL7456451

SCHEMBL7456451

Cc1cc(C)c(Cl)c(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 13/20 0.39
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
ALOX15 P16050 1/20 0.36
MAOA P21397 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL21120986 0.79 TSHR (0.43) RAPGEF4CYP3A4CHRM1ALOX15MAOA
SCHEMBL9417298 0.79 KMT2A (0.42) RAPGEF4CYP3A4CHRM1ALOX15MAOA
SCHEMBL177502 0.78 RAPGEF4 (0.33) RAPGEF4CYP3A4CHRM1ALOX15MAOA
SCHEMBL11270964 0.77 CYP3A4 (0.41) RAPGEF4CYP3A4CHRM1ALOX15MAOA
SCHEMBL2290449 0.74 ALDH1A1 (0.33) RAPGEF4ALOX15ALDH1A1L3MBTL1
SCHEMBL234943 0.74 CYP3A4 (0.58) RAPGEF4CYP3A4CHRM1ALOX15MAOA
SCHEMBL5488080 0.74 RAPGEF4 (0.37) RAPGEF4CYP3A4CHRM1ALOX15MAOA
SCHEMBL1484477 0.74 GPR35 (0.35) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL14682851 0.73 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1POLB
SCHEMBL20577412 0.73 RAPGEF4 (0.32) RAPGEF4L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775706-B1 Borates photoinitiators from polyboranes CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
EP-1203999-A2 Photoinitiator comprising a borane and an electron donating compound Ciba SC Holding AG (CH) 2002-05-08 EP disclosed
US-6057078-A PHOTOGRAPHY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-05-02 US disclosed
US-5807905-A POLYMERIZATION OF UNSATURATED COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-09-15 US disclosed
EP-0775706-A2 Borates photoinitiators from polyboranes Ciba SC Holding AG (CH) 1997-05-28 EP disclosed