SCHEMBL6846764

SCHEMBL6846764

O=C(O)c1ccc(-c2ccc(C(=O)O)c(C(=O)O)c2C(=O)O)c(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 1/20 0.43
TYMS P04818 1/20 0.42
HSD17B10 Q99714 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL6761719 0.89 FOLH1 (0.53) ALDH1A1ALOX15HSD17B10MAPTMAPK1
SCHEMBL22989 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL1988762 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL29445717 0.89 CYP1A2 (0.61) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL6318870 0.86 CYP1A2 (0.42) CYP1A2ALDH1A1ALOX15TYMSHSD17B10
SCHEMBL8879805 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
Hydrochloric Acid SCHEMBL10351177 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
Mellitic Acid SCHEMBL2426221 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
Ammonia Solution, Strong SCHEMBL5023112 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15HSD17B10MAPT
SCHEMBL5550251 0.86 CYP1A2 (0.58) CYP1A2ALDH1A1ALOX15HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6767983-B1 SILICONE RESINS HAVING SPECIFIED TRIORGANOSILYL GROUP LINKED TO ALL OR PART OF ENDS OF BACKBONE CHAIN OF POLYSILSESQUIOXANES; PHOTORESISTS NIPPON STEEL CHEMICAL CO., LTD. (JP) 2004-07-27 US disclosed