SCHEMBL13199358

SCHEMBL13199358

Cc1cc(C)c(OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccccc2)c(-c2cc(C)cc(C)c2OP(Oc2ccc(C(C)(C)C)cc2C(C)(C)C)c2ccccc2)c1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL10309813 0.88 TDP1 (0.33) KDM4E
SCHEMBL31556870 0.86 APEX1 (0.39) APEX1KDM4EMRGPRX4
SCHEMBL7115234 0.86 APEX1 (0.39) APEX1KDM4EMRGPRX4
SCHEMBL13199357 0.84 MAPK1 (0.40)
SCHEMBL13385705 0.82 HSD11B1 (0.30)
SCHEMBL12809508 0.81 IDO1 (0.32)
SCHEMBL14521866 0.80 IDO1 (0.31)
SCHEMBL9402893 0.80 APEX1 (0.34) APEX1KDM4EMRGPRX4
SCHEMBL13199354 0.80 ALDH1A1 (0.35) KDM4E
SCHEMBL13199353 0.80 HSD11B1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-7767852-B2 Removal by salt formation BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-20080083606-A1 preparing aminodihalophosphines, diaminohalophosphines, triaminophosphines, phosphorous ester diamides, aminophosphines, diaminophosphines, phosphorous ester amide halides and aminophosphine halides with elimination of an acid in the presence of an auxiliary base BASF AKTIENGESELLSCHAFT (DE) 2008-04-10 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed
US-7351339-B2 Using an auxiliary base to form a salt with the acid which is liquid at low enough temperature so that value product does not decompose during the removal of the liquid salt; e.g. acid catalyst removal; ionic liquids BASF AKTIENGESELLSCHAFT (DE) 2008-04-01 US disclosed