SCHEMBL9035429

SCHEMBL9035429

CCOc1cccc(C=CC=O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 3/20 0.66
CDK1 P06493 3/20 0.66
CDK4 P11802 3/20 0.66
CCNB1 P14635 3/20 0.66
CCND1 P24385 3/20 0.66
CCNB3 Q8WWL7 3/20 0.66
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 3/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
TLR4 O00206 1/20 0.48
TLR2 O60603 1/20 0.48
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
RELA Q04206 1/20 0.46
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.46
ALOX5 P09917 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9035424 1.00 CCNB2 (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6339806 0.87 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6339803 0.87 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8709017 0.84 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL8709013 0.84 CCNB2 (0.62) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18002563 0.83 KDM4E (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL4414016 0.83 CCNB2 (0.66) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL11045242 0.83 TLR4 (0.59) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18587010 0.83 CCNB2 (0.61) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL18587009 0.83 CCNB2 (0.61) CCNB2CDK1CDK4CCNB1CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110769864-B Gel deodorant 艾饰庭株式会社 2021-05-07 CN disclosed
CN-110769864-A Gel deodorant 艾饰庭株式会社 2020-02-07 CN disclosed
EP-0362902-B1 Process and intermediates for beta-lactam antibiotics HARVARD COLLEGE (US) 1996-01-17 EP disclosed
US-5091525-A 7beta- 2'-(R)-2'-(p-hydroxyphenyl-2'-amino-acetamido!-3-chloro -3-(1-carbadethiacephem)-4-carboxylic acid ELI LILLY AND COMPANY (US) 1992-02-25 US disclosed
EP-0209352-B1 PROCESS AND INTERMEDIATES FOR BETA-LACTAM ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1991-05-02 EP disclosed
EP-0211540-B1 INTERMEDIATES AND PROCESS FOR ANTIBIOTICS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1990-05-16 EP disclosed
US-4870169-A Intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-09-26 US disclosed
US-4820816-A 3-trifuoromethylsulfonyloxy-substituted 1-carbacephalosporins as intermediates for antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1989-04-11 US disclosed
US-4778884-A REACTING TRIFLUOROMETHYLSULFONYLOXY COMPOUND WITH LITHIUM HALIDE IN APROTIC POLAR SOLVENT PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1988-10-18 US disclosed
US-4775752-A Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-10-04 US disclosed
US-4734495-A Process and intermediates for beta-lactam antibiotics PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1988-03-29 US disclosed
US-4673737-A ANTIBIOTICS/ HARVARD UNIVERSITY (US) 1987-06-16 US disclosed
US-4665171-A CARBACEPHALOSPORINS HARVARD UNIVERSITY (US) 1987-05-12 US disclosed
EP-0209352-A2 Process and intermediates for beta-lactam antibiotics THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1987-01-21 EP disclosed