SCHEMBL9422673

SCHEMBL9422673

[CH2]C(CCCCCCCCCCCC)OC(C)(C)C.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.37
LMNA P02545 1/20 0.35
DNM1 Q05193 2/20 0.34
CA2 P00918 1/20 0.34
OPRM1 P35372 1/20 0.33
TSHR P16473 1/20 0.33
THRB P10828 1/20 0.33
FDPS P14324 3/20 0.32
GPR84 Q9NQS5 2/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32

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
SCHEMBL5857518 0.96 OPRM1 (0.36) SMPD1LMNADNM1CA2OPRM1
SCHEMBL5108244 0.89 CA2 (0.33) DNM1CA2
SCHEMBL28309798 0.78 SMPD1 (0.36) SMPD1LMNADNM1CA2OPRM1
SCHEMBL24627492 0.76 SMPD1 (0.41) SMPD1LMNADNM1CA2OPRM1
SCHEMBL24627696 0.76 SMPD1 (0.41) SMPD1LMNADNM1CA2OPRM1
SCHEMBL7562904 0.75
SCHEMBL9734928 0.73 OPRM1 (0.37) SMPD1LMNAOPRM1
SCHEMBL10555139 0.73 LMNA (0.41) SMPD1LMNADNM1CA2OPRM1
SCHEMBL22207114 0.73 LMNA (0.41) SMPD1LMNADNM1CA2OPRM1
SCHEMBL22207425 0.73 LMNA (0.41) SMPD1LMNADNM1CA2OPRM1

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
EP-0625040-A1 SHAMPOO PREMIX COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1994-11-23 EP disclosed
WO-1993015711-A1 SHAMPOO PREMIX COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-08-19 WO disclosed