SCHEMBL10399760

SCHEMBL10399760

CCCCCO[n+]1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.35
HTT P42858 3/20 0.34
TSHR P16473 3/20 0.34
MAPK1 P28482 3/20 0.34
TP53 P04637 2/20 0.34
CYP3A4 P08684 1/20 0.34
RAD52 P43351 4/20 0.34
APAF1 O14727 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
HSP90AA1 P07900 2/20 0.34
NOD2 Q9HC29 1/20 0.34
LMNA P02545 4/20 0.33
ALDH1A1 P00352 3/20 0.33
GGPS1 O95749 1/20 0.33
NR5A1 Q13285 1/20 0.33
KDM4E B2RXH2 3/20 0.32
POLB P06746 1/20 0.32
BLM P54132 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
SCHEMBL10417553 0.77 LTA4H (0.40) LTA4HHTTTSHRMAPK1TP53
SCHEMBL10182273 0.76 NPC1 (0.41) LTA4HHTTTSHRMAPK1TP53
SCHEMBL11038367 0.73 KDM4E (0.54) HTTMAPK1RAD52NPSR1RAB9A
Hexadecane SCHEMBL25192618 0.69 HTT (0.41) HTTTSHRMAPK1TP53RAD52
SCHEMBL11026009 0.68 RAB9A (0.56) HTTMAPK1TP53RAD52APAF1
SCHEMBL10710628 0.68 RAB9A (0.56) HTTMAPK1TP53RAD52APAF1
SCHEMBL28180445 0.68 RAB9A (0.56) HTTMAPK1TP53RAD52APAF1
SCHEMBL28180449 0.68 RAB9A (0.56) HTTMAPK1TP53RAD52APAF1
O-Xylene SCHEMBL29100384 0.67 TSHR (0.50) LTA4HTSHRMAPK1TP53CYP3A4
O-Xylene SCHEMBL29084625 0.67 LTA4H (0.47) LTA4HHTTTSHRMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4940649-A Photopolymerizable recording materials and photoresist layers and lithographic printing plates based thereon BASF AKTIENGESELLSCHAFT (DE) 1990-07-10 US disclosed