SCHEMBL3399170

SCHEMBL3399170

OCCCCC(O)C(O)CCCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.41
TRPA1 O75762 1/20 0.41
LMNA P02545 4/20 0.37
CYP2D6 P10635 2/20 0.37
SPHK1 Q9NYA1 2/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
THPO P40225 1/20 0.37
MTOR P42345 1/20 0.37
BLM P54132 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CETP P11597 1/20 0.37
HTT P42858 1/20 0.37
UBE2N P61088 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
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
SCHEMBL8503320 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL15848372 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL21552219 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL4006613 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL5482067 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL24176357 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL1790073 0.97 TRPV1 (0.39) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL21552377 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL29623180 0.97 TRPV1 (0.46) TRPV1TRPA1LMNACYP2D6SPHK1
SCHEMBL339595 0.94 TRPV1 (0.43) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8597419-B2 Preservative compositions for wood and like materials GENICS INC. (CA) 2013-12-03 US claimed
US-20100062166-A1 PRESERVATIVE COMPOSITIONS FOR WOOD AND LIKE MATERIALS GENICS INC. (CA) 2010-03-11 US claimed
CN-116768715-A Beta-hydroxyaldehyde compound and preparation method thereof 国药集团化学试剂有限公司 2023-09-19 CN disclosed
WO-2014105685-A1 METHOD FOR PREPARING ALIPHATIC POLYESTERS FROM DIOLS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-07-03 WO disclosed
US-8597419-B2 Preservative compositions for wood and like materials GENICS INC. (CA) 2013-12-03 US disclosed
US-20100062166-A1 PRESERVATIVE COMPOSITIONS FOR WOOD AND LIKE MATERIALS GENICS INC. (CA) 2010-03-11 US disclosed