SCHEMBL11525354

SCHEMBL11525354

CCCCCCCCC(CCCCCCCC)COP(OCC(CCCCCCCC)CCCCCCCC)OCC(CCCCCCCC)CCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
DNM1 Q05193 2/20 0.42
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.36
OPRM1 P35372 1/20 0.36
SMPD1 P17405 3/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FDPS P14324 3/20 0.34
GPR84 Q9NQS5 2/20 0.34

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
SCHEMBL11521781 1.00 LMNA (0.48) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL29019748 0.93 LMNA (0.41) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL8437006 0.91 CYP3A4 (0.46) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL8436733 0.86 CYP3A4 (0.39) LMNADNM1TSHRCYP3A4L3MBTL1
SCHEMBL28117654 0.83 LMNA (0.50) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL28561609 0.83 LMNA (0.50) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL27901572 0.83 LMNA (0.50) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL225460 0.82 CYP3A4 (0.53) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL11311699 0.81 CYP3A4 (0.46) LMNADNM1PRSS1PRSS2PRSS3
SCHEMBL11679402 0.80 CYP3A4 (0.52) LMNADNM1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4135042-A HALOGENATED PHOSPHATE POLYESTERS, ALIPHATIC PHOSPHITES OLIN CORPORATION (US) 1979-01-16 US disclosed