SCHEMBL4845207

SCHEMBL4845207

c1ccc2c(c1)Cc1cc3ccc4c(c3cc1-2)-c1ccccc1C4

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2C9 P11712 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A2 P31213 1/20 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
SCHEMBL4852509 0.86 ALDH1A1 (0.42) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4845433 0.82 ALDH1A1 (0.52) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL29520144 0.79 DNMT1 (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL867598 0.79 DNMT1 (0.44) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4851897 0.78 SMN1; SMN2 (0.57) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL4848751 0.78 MAOA (0.50) NPC1RAB9AKDM4EMAPTSMN1; SMN2
SCHEMBL18553369 0.78 TDP1 (0.41) NPC1RAB9AKDM4EMAPTSMN1; SMN2
Benzo[B]Fluorene SCHEMBL599104 0.77 ALDH1A1 (0.55) NPC1RAB9AKDM4EMAPTSMN1; SMN2
Benzo[B]Fluorene SCHEMBL30914260 0.77 ALDH1A1 (0.55) NPC1RAB9AKDM4EMAPTSMN1; SMN2
Benzo[B]Fluorene SCHEMBL29367443 0.77 ALDH1A1 (0.55) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470290-B2 Hydroscopic polymer gels for easier cleaning THE CLOROX COMPANY (US) 2008-12-30 US disclosed
US-7183010-B2 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK CORPORATION (US) 2007-02-27 US disclosed
US-20050245428-A1 Hydroscopic polymer gels for easier cleaning RODRIGUES KLIN A 2005-11-03 US disclosed
US-20040076853-A1 Organic light-emitting diode devices with improved operational stability EASTMAN KODAK COMPANY 2004-04-22 US disclosed