SCHEMBL5014227

SCHEMBL5014227

CCCCCCc1ccc(-n2c(-c3ccc(C)cc3)cc(OC)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
HSD11B1 P28845 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
RARB P10826 4/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
UCHL3 P15374 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMPD1 P17405 1/20 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
SCHEMBL5012613 0.83 PTPN1 (0.42) PTPN1NPC1RAB9AATMHSD11B1
SCHEMBL5136270 0.80 RAB9A (0.46) NPC1RAB9AATMHSD11B1FAAH
SCHEMBL5012594 0.80 PTPN1 (0.50) PTPN1NPC1RAB9AATMHSD11B1
SCHEMBL5010847 0.78 HTT (0.51) PPARGNPC1RAB9ATSHR
SCHEMBL31509490 0.76 CASP3 (0.49) PTPN1FAAHMGLLSMPD1
SCHEMBL5012015 0.74 CYP2C9 (0.45) PTPN1HSD11B1
SCHEMBL5012580 0.74 CYP2C9 (0.45) PTPN1HSD11B1
SCHEMBL31509426 0.74 RARB (0.41) PTPN1PPARGPPARAFAAHMGLL
SCHEMBL15281212 0.73 UCHL3 (0.59) NPC1RAB9AATMHSD11B1FAAH
SCHEMBL12980038 0.73 UCHL3 (0.43) PTPN1NPC1RAB9AATMHSD11B1

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
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed
US-6780950-B2 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-24 US disclosed
US-20040034189-A1 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-02-19 US disclosed
EP-1389626-A1 Aromatic copolymers of pyrroles and an electroluminescent element using the same Korea Institute of Science and Technology (KR) 2004-02-18 EP disclosed