SCHEMBL5281386

SCHEMBL5281386

CCCCN(CCCC)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 5/20 0.55
EGFR P00533 3/20 0.54
ERBB2 P04626 3/20 0.54
POLB P06746 2/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CNR2 P34972 1/20 0.52
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.46
SRD5A2 P31213 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL16937421 0.94 RAB9A (0.53) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL1962996 0.94 RAB9A (0.53) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL1827424 0.93 EGFR (0.59) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL2742810 0.90 HPGD (0.59) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL29138375 0.88 EGFR (0.54) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL11482209 0.87 EGFR (0.54) HPGDRAB9AALDH1A1EGFRERBB2
SCHEMBL7474052 0.86 ALDH1A1 (0.68) ALDH1A1EGFRERBB2POLBGAA
SCHEMBL29138334 0.86 EGFR (0.53) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL29138331 0.86 EGFR (0.53) HPGDRAB9ANPC1ALDH1A1EGFR
SCHEMBL1963626 0.86 EGFR (0.53) HPGDRAB9ANPC1ALDH1A1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106715479-B Catalyst for polymerization of conjugated diene, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and composition containing same 宇部兴产株式会社 2019-07-23 CN disclosed
US-10053526-B2 Catalyst for conjugated diene polymerization, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and compositions comprising foregoing UBE INDUSTRIES, LTD. (JP) 2018-08-21 US disclosed
EP-2966098-B1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION USING SAME UBE INDUSTRIES (JP) 2017-07-12 EP disclosed
US-20170158786-A1 CATALYST FOR CONJUGATED DIENE POLYMERIZATION, CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, POLYBUTADIENE, AND COMPOSITIONS COMPRISING FOREGOING UBE INDUSTRIES, LTD. (JP) 2017-06-08 US disclosed
CN-106715479-A Catalyst for polymerization of conjugated diene, conjugated diene polymer, modified conjugated diene polymer, polybutadiene, and composition containing same 宇部兴产株式会社 2017-05-24 CN disclosed
US-20160009834-A1 Modified Conjugated Diene Polymer, Method for Producing Same, and Rubber Composition Using Same UBE INDUSTRIES, LTD. (JP) 2016-01-14 US disclosed
EP-2966098-A1 MODIFIED CONJUGATED DIENE POLYMER, METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION USING SAME UBE Industries, Ltd. (JP) 2016-01-13 EP disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-B1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2007-12-19 EP disclosed
EP-1313560-A4 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION UNIV YALE (US) 2005-02-09 EP disclosed
EP-1313560-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2003-05-28 EP disclosed
US-6562989-B2 Bicyclopentyl iron ligand and transition metal catalyst YALE UNIVERSITY 2003-05-13 US disclosed
US-20030008768-A1 Catalyst for aromatic C-O, C-N, and C-C bond formation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
WO-2002011883-A1 CATALYST FOR AROMATIC C-O, C-N, and C-C BOND FORMATION YALE UNIVERSITY (US) 2002-02-14 WO disclosed
US-4220356-A Recording materials containing chromenoindoles FUJI PHOTO FILM CO., LTD. (JP) 1980-09-02 US disclosed