SCHEMBL2533002

SCHEMBL2533002

CC/C=C\CCCCCC(=O)OC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
CYP3A4 P08684 2/20 0.65
ALOX15 P16050 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
TSHR P16473 2/20 0.65
EPHX2 P34913 1/20 0.64
LMNA P02545 2/20 0.61
F7 P08709 2/20 0.58
F3 P13726 2/20 0.58
MAPT P10636 2/20 0.58
CYP19A1 P11511 2/20 0.58
NR1I2 O75469 2/20 0.58
PTGS2 P35354 2/20 0.58
OXER1 Q8TDS5 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
FFAR1 O14842 1/20 0.58
PLA2G1B P04054 1/20 0.58
HPGD P15428 1/20 0.58

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
SCHEMBL17365707 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL31512561 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL815437 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL503881 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL23700182 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL23700183 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL14672912 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL14672913 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL816605 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1
SCHEMBL31512518 1.00 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118159258-A Composition containing caryophyllene 三生医药株式会社 2024-06-07 CN disclosed
US-8440265-B2 Water- and heat-resistant scratch-and-sniff coating APPLETON PAPERS INC. (US) 2013-05-14 US disclosed
US-20110253584-A1 WATER- AND HEAT-RESISTANT SCRATCH-AND-SNIFF COATING ENCAPSYS, LLC 2011-10-20 US disclosed