SCHEMBL17559555

SCHEMBL17559555

CC(C)C(=O)Cl.CC(C)C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)C)ccc1O2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ DBH P09172 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ ABCC4 O15439 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTR1B P28222 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL19253135 0.94 KDM4E (0.49) KDM4EDBHGAARECQLABCC4
SCHEMBL11800787 0.78 ABCC4 (0.35) KDM4EDBHGAARECQLABCC4
SCHEMBL11800462 0.75 NPC1 (0.63) KDM4ERECQLRAB9ANPC1MAPT
SCHEMBL11797647 0.74 HPGD (0.41) KDM4EALDH1A1TAS1R3TAS1R1HPGD
SCHEMBL11751146 0.73 ALDH1A1 (0.53) KDM4EGAARAB9ANPC1MAPT
SCHEMBL10852486 0.73 MAOA (0.52) ABCC4PTGS1RAB9ANPC1MAOA
SCHEMBL11191099 0.72 TAS1R3 (0.59) KDM4EDBHGAARECQLRAB9A
SCHEMBL10848578 0.72 MAOA (0.50) ABCC4PTGS1RAB9ANPC1MAOA
SCHEMBL11750545 0.71 ALDH1A1 (0.49) KDM4EMAPTALDH1A1HPGD
SCHEMBL17559571 0.71 GAA (0.49) KDM4EDBHGAARECQLRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189083-A1 POLYCYCLIC PHOTOINITIATORS IGM Malta Limited (MT) 2017-07-12 — — EP disclosed
WO-2016034963-A1 POLYCYCLIC PHOTOINITIATORS BASF SE (DE) 2016-03-10 — — WO disclosed
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