SCHEMBL8034072

SCHEMBL8034072

CC(C)CCN(C(=O)CNC(=O)Nc1cccc(C(=O)O)c1)c1ccccc1OCC(=O)N(C)c1cc(F)cc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 3/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MITF O75030 3/20 0.40
PAX8 Q06710 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KLF5 Q13887 1/20 0.40
CASR P41180 3/20 0.39
NR1H4 Q96RI1 4/20 0.38
DAPK1 P53355 1/20 0.37
PIM3 Q86V86 1/20 0.37
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35

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
SCHEMBL8021117 0.94 BDKRB2 (0.39) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8020616 0.93 CASR (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL8036739 0.93 NPC1 (0.42) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8020975 0.90 BDKRB2 (0.41) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030429 0.90 NPC1 (0.40) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8030021 0.90 KMT2A (0.35) SMN1; SMN2MAPTCASRCXCR1CXCR2
SCHEMBL8020575 0.90 CASR (0.35) CASRCXCR1CXCR2
SCHEMBL8030193 0.88 SMN1; SMN2 (0.33) BDKRB2RAB9ASMN1; SMN2MAPTCASR
SCHEMBL8029973 0.88 BDKRB2 (0.40) BDKRB2NPC1RAB9ASMN1; SMN2MITF
SCHEMBL8033877 0.88 MEN1 (0.33) BDKRB2SMN1; SMN2NR1H4CXCR1CXCR2

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-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed