SCHEMBL27517841

SCHEMBL27517841

O=C(O)c1cccc(C(=O)NO)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 3/20 0.50
GAA P10253 2/20 0.50
MMP3 P08254 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MPO P05164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
ALOX15 P16050 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CA1 P00915 3/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC3 O15379 1/20 0.45
IDO1 P14902 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 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
SCHEMBL8602382 0.87 CYP1A2 (0.44) HDAC8GAAMMP3KDM4EMPO
SCHEMBL23288 0.84 ALDH1A1 (0.63) HDAC8KDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL711798 0.84 ALDH1A1 (0.63) HDAC8KDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL8602386 0.83 CYP1A2 (0.41) HDAC8GAAMMP3KDM4EMPO
SCHEMBL3074587 0.82 POLB (0.49) HDAC8GAAMMP3KDM4EMPO
SCHEMBL29040264 0.82 PBRM1 (0.54) HDAC8GAAMMP3KDM4EMPO
Hydrochloric Acid SCHEMBL3459326 0.82 ALDH1A1 (0.60) HDAC8KDM4ESMN1; SMN2ALOX15ALDH1A1
Water SCHEMBL2004054 0.82 ALDH1A1 (0.60) HDAC8KDM4ESMN1; SMN2ALOX15ALDH1A1
Water SCHEMBL713566 0.82 ALDH1A1 (0.60) HDAC8KDM4ESMN1; SMN2ALOX15ALDH1A1
SCHEMBL723062 0.82 ALDH1A1 (0.60) HDAC8KDM4ESMN1; SMN2ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104105679-A Process for producing cyclohexylbenzene EXXONMOBIL CHEM PATENTS INC 2014-10-15 CN disclosed
CN-101925561-B Process for producing cyclohexylbenzene EXXONMOBIL CHEM PATENTS INC 2014-04-16 CN disclosed
CN-101925561-A The method for preparing phenylcyclohexane EXXONMOBIL CHEM PATENTS INC 2010-12-22 CN disclosed
CN-1263724-C Process for producing dicarboxylic acids DAICEL CHEM (JP) 2006-07-12 CN disclosed
CN-1489569-A Process for producing dicarboxylic acids ����贻�ѧ��ҵ��ʽ���� 2004-04-14 CN disclosed