SCHEMBL9838852

SCHEMBL9838852

Nc1ccc(C(C(=O)CC2CCCC2)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 1/20 0.35
EPHX1 P07099 3/20 0.34
EPHX2 P34913 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPEP1 P16444 1/20 0.33
MLYCD O95822 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 1/20 0.33
CTSL P07711 1/20 0.32

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
SCHEMBL9838945 0.99 NFE2L2 (0.39) NFE2L2L3MBTL1SLC6A3EPHX1EPHX2
SCHEMBL9839155 0.81 ALDH1A1 (0.46) L3MBTL1SLC6A3EPHX1KMT2APOLB
SCHEMBL9839589 0.80 ALDH1A1 (0.47) L3MBTL1SLC6A3EPHX1KMT2APOLB
SCHEMBL10379336 0.78 L3MBTL1 (0.44) L3MBTL1SLC6A3EPHX1EPHX2
SCHEMBL10379317 0.77 EPHX1 (0.44) NFE2L2L3MBTL1SLC6A3EPHX1EPHX2
SCHEMBL10379362 0.75 EPHX2 (0.40) NFE2L2L3MBTL1SLC6A3EPHX1EPHX2
SCHEMBL9837565 0.74 EPHX1 (0.48) SLC6A3EPHX1EPHX2RAB9ANPC1
SCHEMBL9837529 0.74 CYP19A1 (0.42) SLC6A3KMT2A
SCHEMBL9837893 0.73 EPHX1 (0.50) EPHX1EPHX2RAB9ANPC1KMT2A
SCHEMBL9837852 0.73 CYP19A1 (0.44) NFE2L2SLC6A3EPHX1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP claimed
EP-0276122-A2 Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-27 EP claimed
EP-0276122-B1 CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-08-07 EP disclosed
US-4847295-A ANTITUMOR AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1989-07-11 US disclosed
EP-0276122-A2 Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-27 EP disclosed