SCHEMBL18214053

SCHEMBL18214053

Brc1ccc(CCCCCCc2ccc(-c3ccc4c(c3)CC4)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ FFAR4 Q5NUL3 3/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ ADCY8 P40145 1/20 0.37
▸ ADCY1 Q08828 1/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HMOX1 P09601 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 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
SCHEMBL19706401 0.85 GRIN2B (0.47) FFAR4HDAC1HDAC2
SCHEMBL28282101 0.84 TDP2 (0.46) ADCY8ADCY1TDP2MAPK1L3MBTL1
SCHEMBL25014398 0.83 MAOB (0.47) FFAR4HTR2ATAAR1TDP2NPC1
SCHEMBL24336873 0.83 FFAR4 (0.38) RARBRARARARGFFAR4CYP11B1
SCHEMBL17779430 0.83 FFAR4 (0.38) RARBRARARARGFFAR4CYP11B1
SCHEMBL25703621 0.83 IGF1R (0.45) RARBRARARARGFFAR4TAAR1
SCHEMBL12653577 0.76 UNG (0.46) RARBRARARARGHTR2ATSHR
SCHEMBL20233487 0.76 TDP2 (0.33) TDP2NPC1NFKB1MAPK1RAB9A
SCHEMBL15583726 0.75 TAAR1 (0.59) HTR2ATAAR1HMOX1HSD17B10
SCHEMBL134452 0.75 TAAR1 (0.59) HTR2ATAAR1HMOX1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 — — US disclosed
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 — — US disclosed
US-20220085292-A1 Organic Light Emitting Device LG CHEM, LTD. (KR) 2022-03-17 — — US disclosed
US-9954174-B2 Hole transport materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-04-24 — — US disclosed
US-9954174-B2 Hole transport materials E I DU PONT DE NEMOURS AND COMPANY (US) 2018-04-24 — — US disclosed
US-20160329497-A1 HOLE TRANSPORT MATERIALS LG CHEM, LTD. (KR) 2016-11-10 — — US disclosed
US-20160329497-A1 HOLE TRANSPORT MATERIALS LG CHEM, LTD. (KR) 2016-11-10 — — US disclosed
Send feedback