SCHEMBL11229398

SCHEMBL11229398

CC(CS)(C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
EPHX1 P07099 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
SSTR4 P31391 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 3/20 0.31
CHRM4 P08173 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL9433422 0.90 CYP2C19 (0.40) HSD17B10LMNACYP2C19
SCHEMBL2344965 0.82 RECQL (0.37) HSD17B10CYP2C19EPHX1KEAP1NFE2L2
SCHEMBL2335573 0.80 EPHX1 (0.34) HSD17B10EPHX1KEAP1NFE2L2SSTR4
SCHEMBL28107685 0.80 CYP2D6 (0.41) HSD17B10LMNACYP2C19EPHX1KEAP1
SCHEMBL3147437 0.78 SSTR4 (0.36) HSD17B10EPHX1KEAP1NFE2L2SSTR4
SCHEMBL27489829 0.78 KDM4E (0.39) HSD17B10LMNAEPHX1KEAP1NFE2L2
SCHEMBL28785379 0.77 EPHX1 (0.33) HSD17B10EPHX1KEAP1NFE2L2SSTR4
SCHEMBL432459 0.76 CCR2 (0.37) HSD17B10EPHX1KEAP1NFE2L2SSTR4
SCHEMBL3271255 0.76 CYP1A2 (0.39) EPHX1SSTR4CHRM2CHRM4CHRM1
SCHEMBL28103582 0.74 EPHX1 (0.35) EPHX1KEAP1NFE2L2SSTR4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4347379-A REACTING AN ALCOHOL OF THIOL, A HALOFORM, ALKALI METAL HYDROXIDE, AND PHASE TRANSFER AGENT THE B. F. GOODRICH COMPANY (US) 1982-08-31 US disclosed