SCHEMBL8200768

SCHEMBL8200768

N#CCCc1cccc(C(=O)Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 1/20 0.40
GUSB P08236 1/20 0.39
FOLH1 Q04609 1/20 0.39
MRGPRX4 Q96LA9 4/20 0.37
HTT P42858 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
GSK3B P49841 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
SCHEMBL2857678 0.85 MEN1 (0.63) MEN1KMT2AGUSBFOLH1MRGPRX4
SCHEMBL6459667 0.83 MEN1 (0.61) MEN1KMT2ACYP4F2CYP4A11MRGPRX4
SCHEMBL5747177 0.83 MEN1 (0.61) MEN1KMT2ACYP4F2CYP4A11NR1H2
SCHEMBL11459736 0.83 ENPP2 (0.50) KMT2AALDH1A1TSHRFOLH1MRGPRX4
SCHEMBL6453539 0.82 KMT2A (0.59) MEN1KMT2ANR1H2NR1H3ALDH1A1
SCHEMBL2849191 0.80 CYP4F2 (0.68) MEN1KMT2ACYP4F2CYP4A11ALDH1A1
SCHEMBL11580792 0.79 MEN1 (0.44) MEN1KMT2ANR1H2NR1H3ALDH1A1
SCHEMBL5207992 0.79 CYP4F2 (0.45) CYP4F2CYP4A11ALDH1A1TSHRFOLH1
SCHEMBL3892580 0.77 KAT6A (0.50) CYP4F2CYP4A11ALDH1A1TSHRFOLH1
SCHEMBL27447668 0.77 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1TSHRFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447134-B2 Compounds and methods for treating mammalian gastrointestinal microbial infections BRANDEIS UNIVERSITY (US) 2016-09-20 US disclosed
WO-2014028931-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL MICROBIAL INFECTIONS BRANDEIS UNIVERSITY (US) 2014-02-20 WO disclosed
CN-1253543-A Process for producing ketoprofen and 5-benzoyl-3-methyl-2-indolinone MEDICAL INFORMATION SERVICES I (JP) 2000-05-17 CN disclosed
EP-0990637-A1 PROCESS FOR PRODUCING KETOPROFEN AND 5-BENZOYL-3-METHYL-2-INDOLINONE Medical Information Services, Inc. (JP) 2000-04-05 EP disclosed
EP-0209905-B1 1,1-(3-ETHYLPHENYL)PHENYLETHYLENE AND METHOD FOR ITS PREPARATION NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1989-03-01 EP disclosed
US-4761508-A 1,1-(3-ethylphenyl)phenylethylene and method for preparing it NIPPON PETROCHEMICALS CO., LTD. (JP) 1988-08-02 US disclosed
EP-0209905-A1 1,1-(3-Ethylphenyl)phenylethylene and method for its preparation NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1987-01-28 EP disclosed