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SCHEMBL21710583

SCHEMBL21710583

CC(C)(C)c1ccc2c(c1)c1cccc3c4c5cccc(-c6cc7c8cc(-c9c%10ccccc%10c(-c%10ccccc%10)c%10ccccc9%10)ccc8n8c9ccc%10ccccc%10c9c(c6)c78)c5ccc4n2c13

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ GPR84 Q9NQS5 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ DNMT1 P26358 3/20 0.31
▸ HSP90AA1 P07900 1/20 0.30
▸ HSP90AB1 P08238 1/20 0.30
▸ SERPINE1 P05121 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
SCHEMBL21718137 0.87 GPR84 (0.32) GPR84CYP2C9CYP2C19
SCHEMBL22679268 0.84 PTGES (0.34) CYP2C9CYP2C19
SCHEMBL22679269 0.82 KIF11 (0.38) CYP2C19DNMT1HSP90AA1HSP90AB1
SCHEMBL21717836 0.82 CHRNA1 (0.32) —
SCHEMBL21710484 0.81 GPR84 (0.33) PPARGPPARAGPR84DNMT1SERPINE1
SCHEMBL21710703 0.80 CCR4 (0.36) GPR84HSP90AA1HSP90AB1SERPINE1
SCHEMBL21710486 0.80 NTSR1 (0.32) —
SCHEMBL22679432 0.79 SERPINE1 (0.37) DNMT1SERPINE1
SCHEMBL24960701 0.79 HTR1D (0.36) DNMT1
SCHEMBL21718104 0.78 KDM4E (0.35) PPARGPPARACYP2C9CYP2C19PPARD

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
US-20200052212-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2020-02-13 — — US disclosed