SCHEMBL8941195

SCHEMBL8941195

[CH2]CC#CC(CCCCC)CCCCCCC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
DNM1 Q05193 2/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
FDPS P14324 3/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
HMGCR P04035 1/20 0.33

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
SCHEMBL14989365 0.79 SPHK1 (0.41) LMNADNM1TSHRTHRBOPRM1
SCHEMBL9374804 0.79 SPHK1 (0.41) LMNADNM1TSHRTHRBOPRM1
SCHEMBL9363153 0.79 SPHK1 (0.41) LMNADNM1TSHRTHRBOPRM1
SCHEMBL9379337 0.79 SPHK1 (0.41) LMNADNM1TSHRTHRBOPRM1
SCHEMBL3888311 0.79 SPHK1 (0.41) LMNADNM1TSHRTHRBOPRM1
SCHEMBL23806431 0.78 OPRM1 (0.39) LMNADNM1TSHROPRM1SPHK1
SCHEMBL28567418 0.77 HMGCR (0.37) LMNAHMGCR
SCHEMBL31230828 0.77 TSHR (0.36) LMNADNM1TSHROPRM1HMGCR
SCHEMBL7122689 0.76 DNM1 (0.42) DNM1TSHRTHRBHMGCR
SCHEMBL25756980 0.75 OPRM1 (0.37) LMNADNM1TSHROPRM1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
WO-1996019446-A1 β-CARBOXY SULFONAMIDE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 US disclosed
US-5491170-A TREATMENT OF HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-02-13 US disclosed