SCHEMBL6920331

SCHEMBL6920331

CC(Cc1cc(C(=O)c2ccc(OC3CCCCO3)cc2O)ccc1O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.40
UGT1A1 P22309 1/20 0.40
UGT1A3 P35503 1/20 0.40
UGT1A8 Q9HAW9 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PTPN1 P18031 3/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
PGR P06401 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL18796518 0.75 MEN1 (0.46) MEN1KMT2APTPN1ALDH1A1DHFR
SCHEMBL30113210 0.75 MEN1 (0.46) MEN1KMT2APTPN1ALDH1A1DHFR
SCHEMBL2968461 0.74 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1
SCHEMBL30065877 0.74 ALDH1A1 (0.50) ALDH1A1HPGDMAPK1
SCHEMBL30113113 0.72 CA12 (0.49) MEN1KMT2APTPN1ALDH1A1HPGD
SCHEMBL18796365 0.72 CA12 (0.49) MEN1KMT2APTPN1ALDH1A1HPGD
SCHEMBL2959650 0.72 MEN1 (0.35) JUNUGT1A1UGT1A3UGT1A8MEN1
SCHEMBL15654560 0.71 MEN1 (0.47) MEN1KMT2APTPN1HPGDDHFR
SCHEMBL18170280 0.71 TTR (0.40) MEN1KMT2APTPN1ALDH1A1HPGD
SCHEMBL22789783 0.71 ACMSD (0.48) MEN1KMT2AALDH1A1HPGDPDE4A

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-1445249-A1 NOVEL BENSOPHENONE DERIVATIVES OR SALTS THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-08-11 EP disclosed