SCHEMBL3835258

SCHEMBL3835258

O=C(CC1CCCCC1)c1ncc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
ALPL P05186 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.40
EPHX2 P34913 2/20 0.39
FAAH O00519 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ACKR3 P25106 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2423193 0.92 NPC1 (0.40) KMT2AEPHX2FAAHNPC1RAB9A
SCHEMBL2425842 0.86 FAAH (0.44) KMT2AFAAHNPC1RAB9AALOX15
SCHEMBL2424404 0.84 GRM4 (0.42) KMT2AFAAHNPC1RAB9ASMN1; SMN2
SCHEMBL2425813 0.75 JAK3 (0.47) KMT2AALDH1A1NPC1RAB9AACKR3
SCHEMBL29163121 0.73 NPC1 (0.47) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL2418976 0.73 JAK3 (0.44) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL29001041 0.72 NPC1 (0.43) KMT2AKDM4EALDH1A1NPC1RAB9A
SCHEMBL28326469 0.71
SCHEMBL2321138 0.71
SCHEMBL2428253 0.71 MMP9 (0.46) HPGDALDH1A1HSD17B10NPC1RAB9A

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
EP-1641903-B1 EXTRACTION METHOD OF ACTIVE MOLECULAR STRUCTURES FROM NATURAL RESINS AND/OR ESSENTIAL OILS CALEGARO SILVER SARDA S R L (IT) 2009-09-23 EP disclosed
US-20070178169-A1 Extraction method of active molecular structures from natural resins and/or essential oils CALEGARO SILVER SARDA S.R.L. (IT) 2007-08-02 US disclosed