SCHEMBL7899666

SCHEMBL7899666

C[Si](C)(c1ccccc1)C(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 2/20 0.42
CPB1 P15086 1/20 0.42
CPA3 P15088 1/20 0.42
CPB2 Q96IY4 1/20 0.42
TSHR P16473 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
CTSA P10619 1/20 0.38
FFAR1 O14842 2/20 0.37
LTA4H P09960 2/20 0.36
POLB P06746 1/20 0.36
MIF P14174 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2C19 P33261 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
SCHEMBL15437776 0.75 GABBR2 (0.47) CPA1CPB1CPA3CPB2TSHR
SCHEMBL7894378 0.72 MAPT (0.40) TSHRCYP1A2MAPTPOLB
SCHEMBL7891736 0.71 KMT2A (0.44) MAPTPOLB
SCHEMBL5003457 0.71 TDP1 (0.43) CPA1CPB1CPA3CPB2MAPT
SCHEMBL4319153 0.71 TDP1 (0.43) CPA1CPB1CPA3CPB2MAPT
SCHEMBL30352387 0.70 MAPT (0.63) CYP1A2MAPTFFAR1KDM4ECYP2C19
SCHEMBL5481180 0.69 CYP2C19 (0.42) CYP1A2MAPTCYP2C19
SCHEMBL7901007 0.68 KCNA5 (0.41) TSHRMAPTPOLBKDM4E
SCHEMBL10812783 0.67 CYP1A2 (0.57) CPA1CPB1CPA3CPB2CYP1A2
SCHEMBL17654196 0.66 MAPT (0.48) CYP1A2MAPTFFAR1KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288268-B1 REACTION OF OLEFIN WITH ALCOHOL, OXYGEN AND CARBON MONOXIDE IN THE PRESENCE OF CATALYST FOR BISALKOXYCARBONYLATION WITH NOBLE MEYAL AND PHOSPHINE CHALCOGENIDE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-11 US disclosed
US-6184390-B1 Catalyst for bisalkoxycarbonylation of olefins, and method for production of succinate derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-06 US disclosed
US-6159891-A Catalyst for bisalkoxycarbonylation of olefins, and method for production of succinate derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-12 US disclosed