SCHEMBL3797974

SCHEMBL3797974

CCCCCCC(OCCCC)C(OCCCC)(OCCCC)OP(=O)(OC(OCCCC)(OCCCC)C(CCCCCC)OCCCC)OC(OCCCC)(OCCCC)C(CCCCCC)OCCCC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.39
CYP3A4 P08684 2/20 0.35
FDPS P14324 5/20 0.35
LPAR3 Q9UBY5 5/20 0.33
LPAR1 Q92633 4/20 0.33
LAP3 P28838 1/20 0.33
LPAR2 Q9HBW0 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
TSHR P16473 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
SCHEMBL3797975 0.88 SMPD1 (0.47) SMPD1FDPSLPAR3LPAR1LAP3
SCHEMBL942145 0.86 CYP3A4 (0.38) CYP3A4TRPM8TSHR
SCHEMBL9858149 0.76 DNM1 (0.37) SMPD1
SCHEMBL28566312 0.76 DNM1 (0.37) SMPD1
SCHEMBL9858375 0.76 DNM1 (0.37) SMPD1
SCHEMBL942147 0.74 SMPD1 (0.39) SMPD1CYP3A4FDPSLPAR3LPAR1
SCHEMBL9858365 0.73 DNM1 (0.37)
SCHEMBL7161840 0.72 FDPS (0.36) SMPD1FDPS
SCHEMBL678322 0.71 GPR84 (0.40) TSHR
Phosphoric Acid SCHEMBL5931784 0.71 SMPD1 (0.44) SMPD1FDPSLPAR3LPAR1LAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283277-B2 Photoactive TiO2 in coating materials BASF SE (DE) 2012-10-09 US disclosed
US-20100311572-A1 PHOTOACTIVE TIO2 IN COATING MATERIALS BASF SE (DE) 2010-12-09 US disclosed
US-20020061940-A1 Water-based, pigmented coating compositions BASF AKTIENGESELLSCHAFT (DE) 2002-05-23 US disclosed