SCHEMBL4583573

SCHEMBL4583573

Cc1ccc(C(=O)Pc2ccccc2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AKR1B10 O60218 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCB11 O95342 1/20 0.36
DHFR P00374 1/20 0.36
LMNA P02545 1/20 0.36
MPO P05164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CHRM1 P11229 1/20 0.36
CYP2C9 P11712 1/20 0.36
AKR1B1 P15121 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
HIF1A Q16665 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL7183105 0.79 CES2 (0.33) MEN1KMT2AAKR1B10TRPA1ABCB11
SCHEMBL28129554 0.77 NFE2L2 (0.50) MEN1KMT2AAKR1C3CES2CES1
SCHEMBL28226766 0.76 CES2 (0.42) KMT2ALMNACYP1A2CYP3A4CYP2C9
SCHEMBL30208633 0.75 MCL1 (0.32) MEN1KMT2AAKR1B10TRPA1ABCB11
SCHEMBL22344278 0.75 MEN1 (0.36) MEN1KMT2AAKR1B10TRPA1ABCB11
SCHEMBL18155855 0.74 AKR1C3 (0.39) MEN1KMT2ALMNAPTGS2AKR1C3
Lithium SCHEMBL7185553 0.72 HSD17B10 (0.33) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL7175269 0.72 HSD17B10 (0.33) MEN1KMT2ALMNACYP3A4ALDH1A1
SCHEMBL15775363 0.72 CYP3A4 (0.36) MEN1KMT2AAKR1B10TRPA1ABCB11
SCHEMBL29370019 0.72 CYP1A2 (0.48) MEN1KMT2AAKR1B10TRPA1ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2296046-B1 Curable toner compositions and processes XEROX CORP (US) 2017-06-28 EP claimed
EP-2249211-B1 Electrostatographic machine comprising curable toner compositions XEROX CORP (US) 2017-04-19 EP claimed
EP-2249210-B1 Curable toner compositions and processes XEROX CORP (US) 2014-11-05 EP claimed
EP-1593521-B1 Ink -Jettable Overprint Composition XEROX CORP (US) 2008-09-10 EP claimed
CN-116669925-A High heat distortion temperature photocurable resin 巴斯夫欧洲公司 2023-08-29 CN disclosed
US-20210317297-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR STRUCTO PTE LTD (SG) 2021-10-14 US disclosed
EP-3820398-A1 METHODS AND COMPOSITION OF A DENTAL MODEL FOR THE MANUFACTURE OF ORTHODONTIC APPLIANCES WITHOUT THE USE OF SEPARATOR Structo Pte. Ltd. (SG) 2021-05-19 EP disclosed
CN-109620739-A A kind of mesoporous material-based dental antibacterial compound resin and preparation method thereof 东华大学 2019-04-16 CN disclosed
US-20130261254-A1 REACTIVE DILUENTS, METHODS OF REACTING, AND THERMOSET POLYMERS DERIVED THEREFROM SEGETIS, INC. (US) 2013-10-03 US disclosed
WO-2013148933-A1 REACTIVE DILUENTS, METHODS OF REACTING, AND THERMOSET POLYMERS DERIVED THEREFROM SEGETIS, INC. (US) 2013-10-03 WO disclosed