SCHEMBL4912154

SCHEMBL4912154

CC(C)(C)c1ccc(C(C)(C)C)c(N=C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
TRPA1 O75762 1/20 0.38
NR1I2 O75469 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34

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
SCHEMBL11613381 0.85 ALDH1A1 (0.40) CYP3A4TRPA1NR1I2ALDH1A1HPGD
SCHEMBL2585906 0.81 CYP3A4 (0.59) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31425155 0.81 CYP3A4 (0.59) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL9180347 0.79 ESRRA (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL57580 0.77 ALDH1A1 (0.51) CYP3A4ALDH1A1HPGDTDP1MAPT
SCHEMBL741328 0.77 CYP3A4 (0.35) CYP3A4TRPA1NR1I2ALDH1A1HPGD
SCHEMBL28111199 0.75 HSP90AA1 (0.40) CYP3A4TRPA1ALDH1A1ALOX15L3MBTL1
SCHEMBL13571517 0.75 GABRA1 (0.35) ALDH1A1HPGDTDP1ALOX15HSD17B10
SCHEMBL9863359 0.75 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1798643 0.75 NR1I2 (0.39) NR1I2ALDH1A1HPGDTDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849816-B Method for treating paperboard and paper media and related treated paperboard and paper media 巴斯夫欧洲公司 2021-07-09 CN disclosed
CN-106232667-B Polyiso-ureas 巴斯夫欧洲公司 2020-01-07 CN disclosed
US-20180298557-A1 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED TREATED PAPERBOARDS AND PAPER MEDIA BASF CORPORATION 2018-10-18 US disclosed
EP-3107946-B1 A POLYISO-UREA BASF SE (DE) 2018-08-08 EP disclosed
US-9982083-B2 Polyiso-urea BASF SE (DE) 2018-05-29 US disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
US-20170058075-A1 POLYISO-UREA BASF SE (DE) 2017-03-02 US disclosed
US-20170058074-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2017-03-02 US disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 EP disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 WO disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 WO disclosed
US-20080200363-A1 Perfumes, brighteners, insect repellants, flavors, vitamins, fabric softeners, skin care agents; increasing potency, reducing cost PROECTER & GAMBLE COMPANY, THE 2008-08-21 US disclosed