SCHEMBL23340508

SCHEMBL23340508

CCCCCC(CC)N1C(=O)c2ccc(-c3ccc4oc5ccccc5c4c3)c3cccc(c23)C1O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ NQO1 P15559 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ LMNA P02545 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 0.86 PTPN1 (0.33) ALDH1A1KDM4EHTT
SCHEMBL23340402 0.84 PTPN1 (0.33) —
SCHEMBL20735111 0.83 HSP90AA1 (0.38) HSP90AA1HSP90AB1NQO1NPC1RAB9A
SCHEMBL20739655 0.81 DHPS (0.33) —
SCHEMBL20735097 0.81 DHPS (0.33) HTT
SCHEMBL20739759 0.81 TDP1 (0.35) KDM4EHTT
SCHEMBL20735112 0.78 NPC1 (0.36) HSP90AA1HSP90AB1NQO1NPC1RAB9A
SCHEMBL23340594 0.75 RAB9A (0.39) HSP90AA1HSP90AB1NPC1RAB9ASMN1; SMN2
SCHEMBL20739656 0.71 KDM4E (0.33) ALDH1A1KDM4EHTTLMNA
SCHEMBL20735009 0.70 MEN1 (0.36) NQO1ALDH1A1KDM4EHTTLMNA

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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