SCHEMBL9734928

SCHEMBL9734928

[CH2]C(C)C(CCCCC)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
SMPD1 P17405 3/20 0.32
CA1 P00915 2/20 0.31
SPHK1 Q9NYA1 1/20 0.31
TP53 P04637 1/20 0.31
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
SCHEMBL10788018 0.77 OPRM1 (0.39) OPRM1SMPD1SPHK1TP53
SCHEMBL5857518 0.77 OPRM1 (0.36) OPRM1SMPD1LMNA
SCHEMBL11040238 0.76 ADH1B (0.38) OPRM1SMPD1CA1TP53
SCHEMBL7192299 0.74 PTPN1 (0.49) SMPD1SPHK1TP53LMNA
SCHEMBL9422673 0.73 SMPD1 (0.37) OPRM1SMPD1LMNA
SCHEMBL28252014 0.72 SMPD1 (0.47) OPRM1SMPD1LMNA
SCHEMBL24627696 0.70 SMPD1 (0.41) OPRM1SMPD1SPHK1LMNA
SCHEMBL9801982 0.70 OPRM1 (0.42) OPRM1SMPD1CA1SPHK1TP53
SCHEMBL24627492 0.70 SMPD1 (0.41) OPRM1SMPD1SPHK1LMNA
SCHEMBL5108244 0.70 CA2 (0.33) CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5130356-A Addition of small amounts of diphenoquinone or diphenohydroquinone derivatives; compact disc substrates BASF AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed
EP-0385109-A2 Shaped article for optical uses BASF Aktiengesellschaft (DE) 1990-09-05 EP disclosed