SCHEMBL30987409

SCHEMBL30987409

CCC(C)C(O)CCCCCCCCC(O)C(C)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.52
TRPA1 O75762 1/20 0.52
SPHK1 Q9NYA1 2/20 0.50
CYP2D6 P10635 2/20 0.41
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
TSHR P16473 1/20 0.40
PTPN1 P18031 1/20 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
SCHEMBL11673194 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL4651557 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL11759808 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL6443782 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL10834948 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL17929094 0.93 TRPV1 (0.46) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL345181 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL474319 0.93 SPHK1 (0.61) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL10429765 0.91 TRPV1 (0.44) TRPV1TRPA1SPHK1CYP2D6LMNA
SCHEMBL956522 0.91 TRPV1 (0.44) TRPV1TRPA1SPHK1CYP2D6LMNA

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
CN-118139756-A Dual-purpose coolant and lubricant 康明斯公司 2024-06-04 CN disclosed