SCHEMBL4267757

SCHEMBL4267757

CC(=O)SCCc1ccc(C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NOS1 P29475 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 7/20 0.38
IDO1 P14902 2/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH5A1 P51649 1/20 0.38
ABAT P80404 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.36

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
SCHEMBL4262310 0.90 ALDH1A1 (0.38) NOS1ALDH1A1EPHX2NR1H4CYP2A6
SCHEMBL3285808 0.81 ALDH1A1 (0.41) NOS1ALDH1A1IDO1EPHX2NR1H4
SCHEMBL6882189 0.79 ALDH1A1 (0.57) NOS1ALDH1A1IDO1CYP2A6SMN1; SMN2
SCHEMBL978161 0.78 TAAR1 (0.47) NPC1CYP3A4CYP2D6NOS1RAB9A
SCHEMBL7188310 0.78 TAAR1 (0.47) NPC1CYP3A4CYP2D6NOS1RAB9A
SCHEMBL14366635 0.77 ALDH1A1 (0.46) ALDH1A1EPHX2NR1H4CYP2A6ALDH5A1
SCHEMBL24167624 0.76 ALDH1A1 (0.59) NPC1CYP3A4RAB9AALDH1A1EPHX2
SCHEMBL6092819 0.75 ALDH1A1 (0.45) NPC1CYP3A4CYP2D6NOS1RAB9A
SCHEMBL13210726 0.75 ALDH1A1 (0.53) ALDH1A1CYP2A6ALDH5A1ABATMAPT
SCHEMBL29384271 0.74 ALDH1A1 (0.55) NPC1CYP3A4CYP2D6RAB9AHIF1A

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
US-7518905-B2 High density memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-04-14 US disclosed
US-20060209587-A1 High density memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-09-21 US disclosed
US-7042755-B1 High density non-volatile memory device THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2006-05-09 US disclosed