SCHEMBL23340402

SCHEMBL23340402

CCCCCC(CC)N1C(=O)c2ccc(-c3ccc4cc(-c5ccccc5)ccc4c3)c3cccc(c23)C1O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.33
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ TACR3 P29371 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ AKR1C2 P52895 1/20 0.31
▸ MGLL Q99685 1/20 0.31
▸ NTSR1 P30989 2/20 0.30
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ PTGS2 P35354 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
SCHEMBL20735164 0.91 PTPN1 (0.33) PTPN1CNR2CNR1MMP2MMP3
SCHEMBL20739655 0.85 DHPS (0.33) —
SCHEMBL23340508 0.84 HSP90AA1 (0.35) —
SCHEMBL20739759 0.84 TDP1 (0.35) CNR2CNR1MMP2MMP3AKR1C3
SCHEMBL20735097 0.83 DHPS (0.33) —
SCHEMBL20735149 0.82 PTPN1 (0.36) PTPN1CNR2CNR1TACR3AKR1C3
SCHEMBL20735078 0.77 CNR2 (0.41) PTPN1CNR2AKR1C3AKR1C2PPARG
SCHEMBL20739656 0.76 KDM4E (0.33) PTPN1
SCHEMBL23340440 0.76 CNR1 (0.33) CNR2CNR1TACR3
SCHEMBL20735188 0.71 KMT2A (0.40) PTPN1CNR2CNR1

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-3442047-B1 ORGANIC LIGHT-EMITTING DISPLAY APPARATUS SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 — — EP disclosed
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