SCHEMBL456443

SCHEMBL456443

NCC(O)CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.50
CYP2A6 P11509 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
DPP4 P27487 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
MMP13 P45452 1/20 0.49
MMP14 P50281 1/20 0.49
ANPEP P15144 2/20 0.48
ERAP1 Q9NZ08 2/20 0.48
ERAP2 Q6P179 1/20 0.48
KCNH2 Q12809 1/20 0.45
MAOA P21397 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
DHFR P00374 1/20 0.44

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
SCHEMBL5678156 1.00 HTR2A (0.50) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL8787515 1.00 HTR2A (0.50) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL3715878 0.88 MAOA (0.52) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL3715946 0.88 MAOA (0.52) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
4-Aminophenol SCHEMBL11139475 0.86 DPP4 (0.54) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL4799370 0.86 MMP2 (0.55) DPP4MMP2MMP9MMP12MMP13
SCHEMBL6680790 0.85 HTR2A (0.54) HTR2ACYP2A6SMN1; SMN2TAAR1LOXL2
SCHEMBL11120194 0.84 TRPA1 (0.59) HTR2AMAOA
SCHEMBL2077325 0.80 TDP1 (0.52) DPP4MMP2MMP9MMP12MMP13
SCHEMBL448011 0.80 TRPA1 (0.56) DPP4MMP2MMP9MMP12MMP13

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 184 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105152978-B A kind of preparation method of the butanol of 3 tert-butoxycarbonylamino of (2R, 3S) 1 chlorine, 4 phenyl 2 上海应用技术学院 2017-08-25 CN claimed
US-7652128-B2 Toner composition XEROX CORPORATION (US) 2010-01-26 US claimed
CN-1290500-C Combinations of retroviral protease inhibitors SEARLE & CO (US) 2006-12-20 CN claimed
US-20060100300-A1 Toner composition XEROX CORPORATION 2006-05-11 US claimed
US-6172261-B1 BIOSYNTHESIS USING CHAIN EXTENSION ORIDIGM CORPORATION 2001-01-09 US claimed
CN-1166786-A Combinations of retroviral protease inhibitors SEARLE & CO (US) 1997-12-03 CN claimed
US-5403689-A Amide functionality XEROX CORPORATION (US) 1995-04-04 US claimed
EP-0643088-A1 Amino functional polyesters XEROX CORPORATION (US) 1995-03-15 EP claimed
US-5354840-A Functional-amine polyesters XEROX CORPORATION (US) 1994-10-11 US claimed
US-4529384-A Use of cyanoacrylate compounds for dental modeling MDS PRODUCTS, INC. (US) 1985-07-16 US claimed
US-4378213-A USING AN ACCELERATOR TO PROMOTE HARDENING MDS PRODUCTS COMPANY, INC. (US) 1983-03-29 US claimed
WO-1982000756-A1 USE OF CYANOACRYLATE COMPOUNDS FOR DENTAL MODELING SEVERY S 1982-03-18 WO claimed
US-4012542-A PRE-CATALYZED POLYESTER, POLYMERIZATION INHIBITOR, METAL SOAP-AROMATIC TERT-AMINE ACCELERATOR FERRO CORPORATION (US) 1977-03-15 US claimed
JP-7102051-A None JP disclosed
EP-4441121-A1 COATING COMPOSITIONS CONTAINING POLYAMIDEIMIDE POLYMERS Solvay Specialty Polymers USA, LLC (US) 2024-10-09 EP disclosed
CN-118613529-A Containing polyamide-imide coating composition of polymer 索尔维特殊聚合物美国有限责任公司 2024-09-06 CN disclosed
US-4192791-A Highly extended, unsaturated polyester resin syrup composition mixture containing basic aluminum chloride, a shaped article comprised of the cured, cross-linked composition and a process of preparing such article TANNER CHEMICAL COMPANY, INC. (US) 1980-03-11 US disclosed
US-4180612-A Hydantoin-polyester coating compositions GENERAL ELECTRIC COMPANY (US) 1979-12-25 US disclosed
US-4012542-A PRE-CATALYZED POLYESTER, POLYMERIZATION INHIBITOR, METAL SOAP-AROMATIC TERT-AMINE ACCELERATOR FERRO CORPORATION (US) 1977-03-15 US disclosed
US-4007322-A Acrylic anaerobic sealant compositions and method of bonding ACCRABOND CORPORATION (US) 1977-02-08 US disclosed