SCHEMBL14200737

SCHEMBL14200737

O=C(CCCCc1ccc2c(c1)OCO2)CCN1CCCCC1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.69
MAOB P27338 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 2/20 0.59
HDAC1 Q13547 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
DPP7 Q9UHL4 1/20 0.51
HDAC8 Q9BY41 1/20 0.50
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TRPA1 O75762 1/20 0.47

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
Tetrahydropiperine SCHEMBL29392462 0.81 TRPV1 (1.00) TRPV1ALDH1A1HDAC1HDAC3HDAC2
Tetrahydropiperine SCHEMBL4898699 0.81 TRPV1 (1.00) TRPV1ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL14200777 0.81 TRPV1 (0.97) TRPV1ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL11261146 0.80 DPP7 (0.65) TRPV1MAOBALDH1A1HPGDDPP7
SCHEMBL11698547 0.79 DPP7 (0.67) TRPV1MAOBALDH1A1HPGDDPP7
SCHEMBL4953724 0.76 TRPV1 (0.71) TRPV1ALDH1A1HPGDHDAC1HDAC3
SCHEMBL7996805 0.75 HRH1 (0.53) TRPV1ALDH1A1HPGDDPP7MAPT
SCHEMBL19783665 0.75 HDAC1 (0.72) TRPV1ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL5191016 0.75 HDAC1 (0.72) TRPV1ALDH1A1HDAC1HDAC3HDAC2
SCHEMBL30989338 0.75 HDAC1 (0.72) TRPV1ALDH1A1HDAC1HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361685-B2 Compounds for use in the treatment of skin conditions OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-04-22 US disclosed
US-7361685-B2 Compounds for use in the treatment of skin conditions OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-04-22 US disclosed