SCHEMBL628498

SCHEMBL628498

CCOC(=O)Cc1ccc(C(=O)OC)c(-c2ccccc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
CYP4Z1 Q86W10 1/20 0.40
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
TSHR P16473 1/20 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
SCHEMBL628950 0.86 SRD5A2 (0.48) ALDH1A1KDM4ENFKB1SLC6A4SLC6A3
SCHEMBL6624770 0.83 SLC6A3 (0.46) ALDH1A1KDM4ESMN1; SMN2LMNASLC6A4
SCHEMBL628630 0.83 LOXL2 (0.50) ALDH1A1KDM4ESMN1; SMN2LMNASLC6A4
SCHEMBL630123 0.82 SLC6A3 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNASLC6A4
SCHEMBL6774395 0.82 SLC6A3 (0.44) ALDH1A1KDM4EL3MBTL1SMN1; SMN2LMNA
SCHEMBL6625716 0.82 SLC6A3 (0.43) ALDH1A1KDM4ESMN1; SMN2LMNASLC6A4
SCHEMBL7862374 0.80 HPGD (0.51) KDM4EL3MBTL1HTTLTB4R2TSHR
SCHEMBL2267132 0.79 SLC6A3 (0.51) ALDH1A1KDM4ESMN1; SMN2LMNASLC6A4
SCHEMBL630057 0.79 MEN1 (0.46) ALDH1A1KDM4EL3MBTL1NPC1RAB9A
SCHEMBL628441 0.79 FFAR1 (0.53) KDM4E

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
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed