SCHEMBL7590618

SCHEMBL7590618

Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(O)ccc3ccccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTPN22 Q9Y2R2 1/20 0.40
THRB P10828 1/20 0.38
POLB P06746 1/20 0.38
ALOX5 P09917 2/20 0.37
HSP90AA1 P07900 2/20 0.37
HSP90AB1 P08238 2/20 0.37
HKDC1 Q2TB90 2/20 0.37
NSD2 O96028 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
PAK1 Q13153 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RRM1 P23921 1/20 0.36

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
SCHEMBL29122 0.91 CYP2A6 (0.41) MAPTCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL31462816 0.91 CYP2A6 (0.41) MAPTCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL29378690 0.91 CYP2A6 (0.41) MAPTCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL28433701 0.89 CYP2A6 (0.40) MAPTCYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL4004222 0.84 PTPN22 (0.44) MAPTMEN1KMT2APTPN22THRB
SCHEMBL6928512 0.84 PTPN22 (0.44) MAPTMEN1KMT2APTPN22THRB
SCHEMBL8611244 0.81 P2RX1 (0.41) MAPTMEN1KMT2APTPN22THRB
SCHEMBL5080119 0.81 DHFR (0.40) MAPTMEN1KMT2ACYP1A2HSD17B10
SCHEMBL7568810 0.80 HSD17B10 (0.40) MEN1KMT2ATHRBCYP1A2HSD17B10
SCHEMBL8613770 0.79 RRM1 (0.45) MAPTMEN1KMT2APTPN22THRB

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-0755937-B1 Phosphine-phosphinite compound and process for preparing 4-[(R)-1'-formylethyl]-azetidin-2-one derivatives using the same TAKASAGO PERFUMERY CO LTD (JP) 2002-10-23 EP disclosed
US-5824822-A CATALYSTS FOR HYDROFORMYLATION OF COMPPOUNDS TO FORM INTERMEDIATES FOR CARBAPENEM ANTIBIOTICS TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-20 US disclosed
EP-0614901-B1 Phosphine compound and transition metal-phosphine complex containing the same as ligand MITSUBISHI GAS CHEMICAL CO (JP) 1998-08-12 EP disclosed
EP-0755937-A1 Phosphine-phosphinite compound and process for preparing 4-[(R)-1'-formylethyl]-azetidin-2-one derivatives using the same Takasago International Corporation (JP) 1997-01-29 EP disclosed
EP-0614901-A1 Phosphine compound and transition metal-phosphine complex containing the same as ligand MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-09-14 EP disclosed