SCHEMBL10503237

SCHEMBL10503237

CCCCCCC(C)C=S

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 3/20 0.37
FDPS P14324 3/20 0.37
FFAR1 O14842 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL10504514 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL9575990 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL10504300 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL276898 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL10502475 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL277058 1.00 OPRM1 (0.44) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL276335 0.97
SCHEMBL276720 0.90
SCHEMBL4275505 0.79 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4
SCHEMBL4269729 0.79 OPRM1 (0.48) OPRM1ADH1BADH1CADH1AADH4

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
US-4806675-A CATALYTIC ESTERIFICATION WITH HYDROXYALKANOIC AND THIOALKANOIC ACIDS; HEAT AND OXIDATION RESISTANCE MALLINCKRODT, INC. (US) 1989-02-21 US disclosed
US-4794138-A STABILIZERS OF ORGANIC MATERIAL NORMALLY SUSCEPTIBLE TO OXIDATIVE AND/OR THERMAL DETERIORATION MALLINCKRODT, INC. (US) 1988-12-27 US disclosed
US-4772741-A STABILIZERS FOR POLYMERS MILLINCKRODT, INC. (US) 1988-09-20 US disclosed
US-4734519-A STABILIZERS MALLINCKRODT, INC. (US) 1988-03-29 US disclosed
EP-0250087-A1 Pentaerythritol co-esters MALLINCKRODT, INC. (US) 1987-12-23 EP disclosed