SCHEMBL10489405

SCHEMBL10489405

O=C1c2ccccc2C(=O)c2cc(C(O)CCCCCCCCCCO)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.42
MCL1 Q07820 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CDC25A P30304 2/20 0.40
TTR P02766 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 4/20 0.40
CYP3A4 P08684 3/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL10249538 0.85 NPC1 (0.45) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL10489377 0.84 HDAC1 (0.39) BCL2MCL1HDAC1HDAC8ALDH1A1
SCHEMBL7159382 0.83 HDAC1 (0.38) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL4446134 0.78 NPC1 (0.41) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL28101847 0.76 ALDH1A1 (0.37) HDAC1HDAC8ALDH1A1NPC1RAB9A
SCHEMBL3384673 0.76 HDAC1 (0.62) HDAC1HDAC8CYP3A4TSHRMEN1
SCHEMBL10601562 0.74 BCL2 (0.44) BCL2MCL1ALDH1A1NPC1RAB9A
SCHEMBL29211140 0.74 RIPK1 (0.52) ALDH1A1LMNAL3MBTL1KDM4EHSD17B10
SCHEMBL8618795 0.74 RIPK1 (0.52) ALDH1A1LMNAL3MBTL1KDM4EHSD17B10
SCHEMBL21371750 0.74 RIPK1 (0.52) ALDH1A1LMNAL3MBTL1KDM4EHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4797347-A Process for producing electrically conductive coating CIBA-GEIGY CORPORATION (US) 1989-01-10 US disclosed
US-4677155-A Anthroquinonyl photosensitive polymers CIBA-GEIGY CORPORATION (US) 1987-06-30 US disclosed
EP-0080975-B1 PHOTOSENSITIVE POLYMERS CIBA-GEIGY AG (CH) 1986-02-26 EP disclosed
EP-0080975-A1 Photosensitive polymers CIBA-GEIGY AG (CH) 1983-06-08 EP disclosed