SCHEMBL11355178

SCHEMBL11355178

O=C(O)c1[c]c(-c2ccccc2C(=O)O)ccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.49
ALDH1A1 P00352 6/20 0.46
ALOX15 P16050 1/20 0.46
HNF4A P41235 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX12 P18054 1/20 0.43
POLB P06746 1/20 0.42
FOLH1 Q04609 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL36145 0.75 ALDH1A1 (0.72) MYCALDH1A1ALOX15HNF4ALMNA
SCHEMBL2779103 0.75 TSHR (0.48) ALDH1A1ALOX15POLBNR4A1NR4A2
SCHEMBL30028907 0.75 ALDH1A1 (0.72) MYCALDH1A1ALOX15HNF4ALMNA
SCHEMBL6157634 0.73 ALDH1A1 (0.50) MYCALDH1A1ALOX15HNF4ALMNA
Hydrochloric Acid SCHEMBL1681943 0.73 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4ALMNA
SCHEMBL2830888 0.73 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4ALMNA
SCHEMBL28408894 0.73 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4ALMNA
Hydrochloric Acid SCHEMBL10888462 0.73 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4ALMNA
Hydrochloric Acid SCHEMBL7579852 0.73 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4ALMNA
SCHEMBL30620175 0.73 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4248998-A COMPOUNDS USED AS PLASTICIZERS FOR POLYVINYL CHLORIDE; POLYMERS USED AS FIBERS, FILMS, MOLDED ARTICLES STANDARD OIL COMPANY (INDIANA) (US) 1981-02-03 US claimed
US-4248998-A COMPOUNDS USED AS PLASTICIZERS FOR POLYVINYL CHLORIDE; POLYMERS USED AS FIBERS, FILMS, MOLDED ARTICLES STANDARD OIL COMPANY (INDIANA) (US) 1981-02-03 US disclosed