SCHEMBL31314692

SCHEMBL31314692

CCCCCCCCCCCCCCCCOCC(O)CN(C)CC(O)C(O)C(O)C(O)CO

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.59
HTT P42858 2/20 0.50
SPHK1 Q9NYA1 1/20 0.50
LPAR5 Q9H1C0 4/20 0.44
PLA2G2C Q5R387 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
CASR P41180 1/20 0.36
LPAR1 Q92633 7/20 0.35
LPAR3 Q9UBY5 7/20 0.35
LPAR2 Q9HBW0 4/20 0.35
LPAR6 P43657 3/20 0.35
LPAR4 Q99677 3/20 0.35

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
SCHEMBL21273249 1.00 USP2 (0.59) USP2HTTSPHK1LPAR5PLA2G2C
SCHEMBL12760982 0.94 USP2 (0.50) USP2HTTSPHK1LPAR5PLA2G2C
SCHEMBL15381387 0.86 USP2 (0.41) USP2HTTSPHK1LPAR5CYP1A2
SCHEMBL23615822 0.83 USP2 (0.39) USP2HTTSPHK1PLA2G2CCYP3A4
SCHEMBL19546179 0.82 USP2 (0.38) USP2HTTSPHK1
SCHEMBL15134188 0.82 USP2 (0.38) USP2HTTSPHK1
SCHEMBL31314688 0.82 LMNA (0.42) HTTSPHK1CYP1A2CYP3A4MEN1
SCHEMBL8885826 0.82 LMNA (0.42) HTTSPHK1CYP1A2CYP3A4MEN1
SCHEMBL4621760 0.81 USP2 (0.65) USP2HTTSPHK1LPAR5PLA2G2C
SCHEMBL15561419 0.81 USP2 (0.65) USP2HTTSPHK1LPAR5PLA2G2C

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-20240376292-A1 COMPOSITIONS AND METHODS FOR REMOVING BORON FROM AQUEOUS SOLUTIONS CARBONET NANOTECHNOLOGIES INC. (CA) 2024-11-14 US disclosed