SCHEMBL8970703

SCHEMBL8970703

Cc1ccc(S(=O)(=O)CCCCCCCCCCCCCCCCCCCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.87
CYP2C19 P33261 2/20 0.87
CYP3A4 P08684 1/20 0.87
CYP2C9 P11712 1/20 0.87
MCHR1 Q99705 1/20 0.56
KMT2A Q03164 6/20 0.55
NPC1 O15118 1/20 0.55
GAA P10253 1/20 0.52
MEN1 O00255 1/20 0.52
CA2 P00918 3/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
PAX8 Q06710 1/20 0.49
CTSK P43235 1/20 0.48
G6PD P11413 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48

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
SCHEMBL2537399 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8970657 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971261 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971430 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971393 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971703 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL4001371 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL5463183 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971186 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1
SCHEMBL8971457 1.00 ALDH1A1 (0.87) ALDH1A1CYP2C19CYP3A4CYP2C9MCHR1

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-0493601-B1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN CO (JP) 1996-03-20 EP disclosed
US-5425897-A Electrooptics IDEMITSU KOSAN CO., LTD. (JP) 1995-06-20 US disclosed
US-5380915-A Copolymers of polydimethylsiloxane with diene ethers IDEMITSU KOSAN CO., LTD. (JP) 1995-01-10 US disclosed
US-5281685-A Polyether pendant groups, polysiloxane repeating units IDEMITSU KOSAN CO., LTD. (JP) 1994-01-25 US disclosed
EP-0493601-A1 LIQUID-CRYSTAL COPOLYMER, PRODUCTION THEREOF, DIENE COMPOUND USED IN SAID PRODUCTION, AND PRODUCTION OF SAID COMPOUND IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-08 EP disclosed