SCHEMBL17715422

SCHEMBL17715422

CC=c1c(=O)c2ccc(-c3ccc(CO)cc3)c3c(-c4ccc(CC)cc4)ccc1c32

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ CECR2 Q9BXF3 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HDAC2 Q92769 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL16602018 0.68 ALDH1A1 (0.36) BRD4KDM4EALDH1A1HPGDMEN1
SCHEMBL16601754 0.68 PTGS2 (0.42) BRD4ALDH1A1HPGDHDAC2MEN1
SCHEMBL16601994 0.68 MCL1 (0.49) BRD4HDAC2
SCHEMBL4623255 0.67 EGFR (0.48) EGFRALDH1A1HDAC2SMN1; SMN2
SCHEMBL17715437 0.65 NPC1 (0.47) EGFRKDM4EALDH1A1HPGDMEN1
SCHEMBL92935 0.65 LPL (0.52) EGFRALDH1A1SMN1; SMN2
SCHEMBL16807145 0.64 EGFR (0.41) EGFRALDH1A1ERN1NPC1LMNA
SCHEMBL16807079 0.62 EGFR (0.42) EGFRALDH1A1NPC1LMNAMAPT
SCHEMBL16807109 0.61 EGFR (0.41) EGFRALDH1A1NPC1LMNAMAPT
Methylamine SCHEMBL27945331 0.61 TAAR1 (0.50) ALDH1A1SMN1; SMN2

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-2680079-B1 Electrophotographic photosensitive member, process catridge, and electrophotographic apparatus CANON KK (JP) 2016-05-04 — — EP disclosed
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