SCHEMBL13061573

SCHEMBL13061573

CCCCCCCC(CCC)COCC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP3A4 P08684 2/20 0.40
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
DNM1 Q05193 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
SMPD1 P17405 3/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 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
SCHEMBL103165 0.98 LMNA (0.43) LMNACYP3A4OPRM1ALDH1A1CA12
SCHEMBL28169231 0.96 LMNA (0.50) LMNACYP3A4OPRM1ALDH1A1DNM1
SCHEMBL19035589 0.96 LMNA (0.50) LMNACYP3A4OPRM1ALDH1A1DNM1
SCHEMBL13909185 0.96 LMNA (0.50) LMNACYP3A4OPRM1ALDH1A1DNM1
SCHEMBL20253209 0.96 LMNA (0.50) LMNACYP3A4OPRM1ALDH1A1DNM1
SCHEMBL3987510 0.93 LMNA (0.48) LMNACYP3A4OPRM1ALDH1A1DNM1
SCHEMBL13972408 0.93 LMNA (0.48) LMNACYP3A4OPRM1ALDH1A1CA2
SCHEMBL13972410 0.93 LMNA (0.46) LMNACYP3A4OPRM1ALDH1A1DNM1
SCHEMBL20253213 0.91 LMNA (0.50) LMNACYP3A4OPRM1ALDH1A1CA12
SCHEMBL14957670 0.91 LMNA (0.50) LMNACYP3A4OPRM1ALDH1A1CA12

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-7854770-B2 Detergent composition comprising a surfactant system and a pyrophosphate THE PROCTER & GAMBLE COMPANY (US) 2010-12-21 US disclosed
US-20090143269-A1 Detergent Composition THE PROCTER & GAMBLE COMPANY 2009-06-04 US disclosed