SCHEMBL9861848

SCHEMBL9861848

CC(C)(CO)C(O)C(O)CCCCCCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.38
KCNH2 Q12809 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
TRPA1 O75762 1/20 0.37
LMNA P02545 3/20 0.34
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 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
SCHEMBL4206134 1.00 PTGS1 (0.38) PTGS1KCNH2TRPV1TRPA1LMNA
SCHEMBL6900018 1.00 PTGS1 (0.38) PTGS1KCNH2TRPV1TRPA1LMNA
SCHEMBL5172111 0.98 PTGS1 (0.39) PTGS1KCNH2TRPV1TRPA1LMNA
SCHEMBL2152238 0.91 PTGS1 (0.40) PTGS1KCNH2TRPV1TRPA1PTPN1
SCHEMBL5886044 0.82 DPP4 (0.35) PTGS1KCNH2
SCHEMBL2467052 0.78 PTGS1 (0.40) PTGS1KCNH2TRPA1LMNAALDH1A1
SCHEMBL24176357 0.74 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL21552219 0.74 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL21552377 0.74 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL5482067 0.74 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1

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
EP-0410929-A2 Linear polymers CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed