SCHEMBL630159

SCHEMBL630159

FCCNCCC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.41
EPHX1 P07099 2/20 0.40
BCHE P06276 1/20 0.40
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
KDM1A O60341 2/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL716430 0.88 SIGMAR1 (0.48) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL1615543 0.82 SIGMAR1 (0.56) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL6975777 0.79 SIGMAR1 (0.46) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL6974974 0.79 SIGMAR1 (0.52) SIGMAR1EPHX1BCHECYP1A2MAPT
SCHEMBL14432914 0.79 ADH1B (0.46) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL4470765 0.77 SIGMAR1 (0.41) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL4660951 0.77 CYP1A2 (0.54) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL8944543 0.77 CYP1A2 (0.54) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL3681785 0.77 EPHX1 (0.44) SIGMAR1EPHX1BCHECYP1A2CHRM2
SCHEMBL19841305 0.77 SIGMAR1 (0.41) SIGMAR1EPHX1BCHECYP1A2CHRM2

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 3 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
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