SCHEMBL9790331

SCHEMBL9790331

Oc1ccc(Cl)c(Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
IDH1 O75874 1/20 0.47
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
BCL2 P10415 1/20 0.45
BCL2L1 Q07817 1/20 0.45
CALM1 P0DP23 1/20 0.42
POLB P06746 1/20 0.41
HNF4A P41235 1/20 0.41
ALOX5 P09917 1/20 0.40
TYMP P19971 1/20 0.40
SHBG P04278 1/20 0.39
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL27657488 0.87 IDH1 (0.58) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL7582785 0.86 MEN1 (0.49) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL30821519 0.86 MEN1 (0.49) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL5178275 0.86 MEN1 (0.49) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL560292 0.84 ALDH1A1 (0.48) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL30064859 0.84 ALDH1A1 (0.48) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL27331769 0.83 SHBG (0.49) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL560333 0.83 MEN1 (0.46) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL27886772 0.83 MEN1 (0.46) MEN1KMT2AHSD17B10CYP3A4HPGD
SCHEMBL4286155 0.82 MEN1 (0.45) MEN1KMT2AHSD17B10CYP3A4HPGD

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
US-5072017-A Condensation of para-substituted phenol with benzylating agent in presence of faujasite type zeolite; antioxidants, bactericides BAYER AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0278211-A1 Process for the manufacture of p-substituted o-benzylphenols BAYER AG (DE) 1988-08-17 EP disclosed