SCHEMBL28034675

SCHEMBL28034675

C1CCOCC1.CCCC/C=C\CCCCCCCCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.48
TRPV1 Q8NER1 1/20 0.48
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
TOP1 P11387 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
F7 P08709 2/20 0.47
F3 P13726 2/20 0.47
KMT2A Q03164 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 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
SCHEMBL28379201 1.00 FAAH (0.48) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL28807306 0.90 FAAH (0.42) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL27935648 0.90 FAAH (0.42) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL28825966 0.89 LMNA (0.46) FAAHTERTPTPN1PPARGPPARD
Heptane SCHEMBL25303431 0.84 ALDH1A1 (0.47) HSD17B10KMT2ALMNAMEN1TDP1
Heptane SCHEMBL4434566 0.84 ALDH1A1 (0.47) HSD17B10KMT2ALMNAMEN1TDP1
Tetrahydrofuran SCHEMBL28477559 0.84 FAAH (0.41) FAAHTRPV1TERTPTPN1PPARG
Octane SCHEMBL4626385 0.82 TSHR (0.50) HSD17B10KMT2ALMNAMEN1
Heptane SCHEMBL538473 0.82 TSHR (0.50) HSD17B10KMT2ALMNAMEN1
Hexane SCHEMBL28093142 0.82 ALDH1A1 (0.50) CYP1A2KMT2ALMNAMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922311-A Preparation method of striped rice borer sex pheromone cis-11-hexadecenal 吉林化工学院 2020-03-27 CN claimed
CN-110922311-A Preparation method of striped rice borer sex pheromone cis-11-hexadecenal 吉林化工学院 2020-03-27 CN disclosed
CN-110922311-A Preparation method of striped rice borer sex pheromone cis-11-hexadecenal 吉林化工学院 2020-03-27 CN disclosed
CN-104974027-A Synthesis method of Chilosuppressalis (Walker) pheromone cis-11-hexedecanal INST OF MICROBIOLOGY HEILONGJIANG ACADEMY OF SCIEN 2015-10-14 CN disclosed