SCHEMBL22779276

SCHEMBL22779276

C/C=C(\C=C/Cc1cccc2ccccc12)N(c1ccc(-c2cccc3ccccc23)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)c(-c2ccccc2)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.33
▸ PPARA Q07869 7/20 0.33
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ SLC6A9 P48067 1/20 0.31
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL19942486 0.93 CHRNB2 (0.33) CHRNB2CHRNA4SLC6A9CYP2C19ESR1
SCHEMBL18801273 0.76 PPARG (0.36) PPARGPPARACA12CA1CA2
SCHEMBL20620704 0.76 CA12 (0.46) PPARGPPARACA12CA1CA2
SCHEMBL29419063 0.76 CA12 (0.46) PPARGPPARACA12CA1CA2
SCHEMBL20558730 0.76 CA12 (0.46) PPARGPPARACA12CA1CA2
SCHEMBL20558731 0.76 CA12 (0.46) PPARGPPARACA12CA1CA2
SCHEMBL29419051 0.76 CA12 (0.46) PPARGPPARACA12CA1CA2
SCHEMBL25286865 0.75 CA12 (0.47) PPARGPPARACA12CA1CA2
SCHEMBL21869931 0.75 CA12 (0.47) PPARGPPARACA12CA1CA2
SCHEMBL21869769 0.75 CA12 (0.47) PPARGPPARACA12CA1CA2

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
EP-3750971-A1 ORGANIC ELECTROLUMINESCENT DEVICE SFC Co., Ltd. (KR) 2020-12-16 — — EP disclosed
Send feedback