SCHEMBL10714767

SCHEMBL10714767

CC(C)(C(=O)O)S(=O)(=O)C(C)(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.33
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL1622163 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL1621552 0.78 ALDH1A1 (0.42) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL866857 0.78 ALDH1A1 (0.46) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL28144774 0.75 TSHR (0.40) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL20348617 0.73 TSHR (0.44) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL1620942 0.71 ALDH1A1 (0.36) ALDH1A1TSHRTP53
SCHEMBL29250727 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL3777121 0.71 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL19312138 0.71 TSHR (0.36) ALDH1A1TSHRCYP2D6CYP2C19HIF1A
SCHEMBL85493 0.70 TSHR (0.57) ALDH1A1TSHRCYP2D6CYP2C19HIF1A

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-4645820-A MOLDING MATERIAL FROM DIHYDRIC PHENOL, BIS(A,A-DISUBSTITUTED ACETIC ACID) SULFONE, AND 4,4*-BENZOPHENONE DICARBOXYLIC ACID ATLANTIC RICHFIELD COMPANY (US) 1987-02-24 US disclosed
EP-0210763-A1 Moldable polyester-sulfone thermoplastic resin ARCO CHEMICAL TECHNOLOGY, INC. (US) 1987-02-04 EP disclosed
US-4614767-A FROM DIHYDRIC PHENOL AND A BISCA,A-DISUBSTITUTED ACETIC ACID ATLANTIC RICHFIELD COMPANY (US) 1986-09-30 US disclosed