SCHEMBL8007380

SCHEMBL8007380

NC(C=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.52
ERAP1 Q9NZ08 2/20 0.52
ERAP2 Q6P179 2/20 0.52
ACE P12821 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP2A6 P11509 1/20 0.43
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
ACP3 P15309 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL3391050 1.00 ANPEP (0.52) ANPEPERAP1ERAP2ACESMN1; SMN2
SCHEMBL1029067 1.00 ANPEP (0.52) ANPEPERAP1ERAP2ACESMN1; SMN2
SCHEMBL8896138 0.88 GRIK1 (0.50) ANPEPERAP1ERAP2HTR2AGRIK1
SCHEMBL13629461 0.88 GRIK1 (0.50) ANPEPERAP1ERAP2HTR2AGRIK1
SCHEMBL8895432 0.88 GRIK1 (0.50) ANPEPERAP1ERAP2HTR2AGRIK1
SCHEMBL27527666 0.86 S1PR2 (0.50) ANPEPERAP1ERAP2GRIK1
SCHEMBL16234919 0.80 TAAR1 (0.47) TAAR1HTT
SCHEMBL28898297 0.80 ANPEP (0.33) ANPEPERAP1ERAP2ACE
SCHEMBL10068447 0.80 ESR1 (0.48) ANPEPERAP1ERAP2TAAR1ALDH1A1
SCHEMBL7266310 0.78 ACE (0.47) ANPEPERAP1ERAP2ACESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120117974-A Synthetic method for preparing di-deuterated primary alcohol by catalytic aldehyde hydrogenation and hydrogen-deuterium exchange reaction 中国科学院大连化学物理研究所 2025-06-10 CN claimed
CN-118026796-A Synthetic method for decarbonylation deuteration reaction of rhodium-catalyzed aldehyde compound 中国科学院大连化学物理研究所 2024-05-14 CN claimed
WO-2023106897-A1 NOVEL PEPTIDE DERIVATIVE DERIVED FROM ADIPONECTIN AND USE THEREOF 서울대학교병원 2023-06-15 WO disclosed
CN-1942445-A Novel quinoline-carbaxamides as JACK3 kinase modulators ASTRAZENECA AB (SE) 2007-04-04 CN disclosed
CN-1058011-C 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-11-01 CN disclosed
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
CN-1112119-A 13-substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 1995-11-22 CN disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed