SCHEMBL10109582

SCHEMBL10109582

Cc1ccc(-c2ccc(C3CCC(N(c4ccc(-c5cccc(C)c5)cc4)c4ccc(C5CCC(c6ccc(C)cc6)CC5)cc4)CC3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
HTR2C P28335 2/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
PGR P06401 1/20 0.35
GAA P10253 1/20 0.34
BACE1 P56817 1/20 0.34
PAX8 Q06710 1/20 0.34
ENPP3 O14638 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8377504 0.79 KDM4E (0.45) SIGMAR1DRD2LMNAMAPTSMN1; SMN2
SCHEMBL10109604 0.79 KMO (0.35) HTR2CDRD2DRD3NPC1RAB9A
SCHEMBL10109405 0.76 ESR2 (0.44) NPC1RAB9AGAALMNAMAPT
SCHEMBL10109623 0.74 KCNH2 (0.37) KDM1A
SCHEMBL10109594 0.74 MEN1 (0.37) NPC1RAB9ALMNAMAPTHTT
SCHEMBL15501013 0.73 OPRM1 (0.42) HSD17B1HSD17B2DRD2LMNAMAPT
SCHEMBL14570736 0.72 HSD17B1 (0.49) HSD17B1HSD17B2RAB9APGRENPP3
SCHEMBL12533876 0.72 HSD17B1 (0.49) HSD17B1HSD17B2RAB9APGRENPP3
SCHEMBL10109544 0.72 PTGS2 (0.39) NPC1RAB9AMAPT
SCHEMBL23003863 0.72 ACHE (0.55) HSD17B1HSD17B2NPC1RAB9APGR

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
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed