SCHEMBL9811366

SCHEMBL9811366

CC(C)(C)C(=O)C(Cl)(Oc1ccc(C(=O)O)cc1)C(=O)Nc1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.44
▸ PTPN5 P54829 1/20 0.44
▸ PTPN11 Q06124 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ DDX3X O00571 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HIF1A Q16665 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ NR1H4 Q96RI1 2/20 0.38
▸ FAAH O00519 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ MITF O75030 1/20 0.38

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
SCHEMBL11874154 0.88 NPC1 (0.47) DUSP3PTPN5PTPN11TDP1NPSR1
SCHEMBL11137274 0.81 EPHX2 (0.47) DUSP3PTPN5PTPN11TDP1ALDH1A1
SCHEMBL10431832 0.81 CYP1A2 (0.49) TDP1NPC1RAB9ALMNAMEN1
SCHEMBL11145651 0.80 EPHX2 (0.46) DUSP3PTPN5PTPN11TDP1ALDH1A1
SCHEMBL9641167 0.79 PDK1 (0.45) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL11176255 0.77 NR1H4 (0.42) ALDH1A1NR1H4
SCHEMBL11441585 0.77 NR1H4 (0.42) ALDH1A1NR1H4
SCHEMBL10493436 0.77 DUSP3 (0.44) DUSP3PTPN5PTPN11TDP1NPSR1
SCHEMBL10431830 0.76 KMT2A (0.44) ALDH1A1POLBLMNAMEN1KMT2A
SCHEMBL11876653 0.75 CBS (0.52) DUSP3PTPN5PTPN11TDP1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217255-B1 COLOUR-PHOTOGRAPHIC RECORDING MATERIAL WITH EASILY DISPERSIBLE COLOUR COUPLERS Agfa-Gevaert AG (DE) 1991-06-12 — — EP disclosed
US-4871657-A HIGH TEMPERATURE PROCESSING WITHOUT NEED FOR SOLVENTS AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1989-10-03 — — US disclosed
EP-0217255-A2 Colour-photographic recording material with easily dispersible colour couplers Agfa-Gevaert AG (DE) 1987-04-08 — — EP disclosed
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