SCHEMBL630057

SCHEMBL630057

C=CCc1ccc(C(=O)OC)c(-c2ccccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GABRA1 P14867 3/20 0.42
GABRB2 P47870 3/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CNR2 P34972 2/20 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
SCHEMBL628630 0.84 LOXL2 (0.50) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6624770 0.84 SLC6A3 (0.46) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL6625716 0.83 SLC6A3 (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL6774395 0.83 SLC6A3 (0.44) MEN1KMT2AL3MBTL1MAPTSMN1; SMN2
SCHEMBL630123 0.83 SLC6A3 (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL10777241 0.82 PTGS1 (0.48) MEN1KMT2ACYP3A4TDP1L3MBTL1
SCHEMBL628950 0.82 SRD5A2 (0.48) TDP1PTGS1ALDH1A1HPGDPPARG
SCHEMBL629251 0.81 KDM4E (0.40) MAPTALDH1A1HPGDKDM4EGAA
SCHEMBL628441 0.80 FFAR1 (0.53) KDM4E
SCHEMBL1849857 0.79 GABRA1 (0.50) MEN1KMT2ACYP3A4TDP1L3MBTL1

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