SCHEMBL22060971

SCHEMBL22060971

C1=Cc2c(ccc3c2oc2c(-c4cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c4)cccc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ CYP1A2 P05177 4/20 0.35
▸ CYP1A1 P04798 3/20 0.35
▸ CYP1B1 Q16678 3/20 0.35
▸ PRKDC P78527 8/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ GGPS1 O95749 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ BRD2 P25440 2/20 0.32
▸ BRD3 Q15059 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ PIK3C2A O00443 1/20 0.32

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
SCHEMBL15461369 0.78 ALOX5 (0.45) ALOX5CYP1A2PRKDCGGPS1ALDH1A1
SCHEMBL26514601 0.76 ALOX5 (0.38) ALOX5PRKDCPRMT5WDR77
SCHEMBL19623031 0.75 ALOX5 (0.35) ALOX5CYP1A2PRKDCPRMT5WDR77
SCHEMBL26264066 0.75 ALOX5 (0.44) ALOX5PRKDCPRMT5WDR77GGPS1
SCHEMBL15306303 0.75 ALOX5 (0.60) ALOX5CYP1B1PRKDCPRMT5WDR77
SCHEMBL25509052 0.74 ALOX5 (0.40) ALOX5CYP1A2PRKDCPRMT5WDR77
SCHEMBL17931943 0.74 CYP1A1 (0.47) ALOX5CYP1A2CYP1A1CYP1B1PRKDC
SCHEMBL10442531 0.73 ALOX5 (0.44) ALOX5CYP1A2PRKDCGGPS1ALDH1A1
SCHEMBL10443145 0.73 ALOX5 (0.44) ALOX5CYP1A2PRKDCGGPS1ALDH1A1
SCHEMBL17539823 0.73 ALOX5 (0.58) ALOX5CYP1B1PRKDCPRMT5WDR77

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-3660024-A1 POLYCYCLIC AROMATIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICES USING THE SAME SFC Co., Ltd. (KR) 2020-06-03 — — EP disclosed
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