SCHEMBL9507007

SCHEMBL9507007

CC(C)(C)N(CCCC(O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 3/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPM8 Q7Z2W7 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HTR2A P28223 1/20 0.38
HRH1 P35367 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
SCHEMBL27671408 0.82 LMNA (0.43) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL5065804 0.79 RIPK1 (0.53) RIPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1529441 0.79 RIPK1 (0.53) RIPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5069200 0.79 RIPK1 (0.53) RIPK1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL11901745 0.76 OPRD1 (0.36) RIPK1SMN1; SMN2LMNA
SCHEMBL26528332 0.75 POLB (0.46) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2
SCHEMBL8648238 0.74 AOC3 (0.49) RIPK1SMN1; SMN2POLBKDM4EATM
SCHEMBL12086360 0.73 ALDH1A1 (0.53) HDAC1HDAC6SMN1; SMN2LMNAPOLB
SCHEMBL7395984 0.72 RIPK1 (0.45) RIPK1SMN1; SMN2LMNAPOLBKDM4E
SCHEMBL11899881 0.72 LMNA (0.40) HDAC3HDAC1HDAC2HDAC6SMN1; SMN2

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
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-1012500-B Process for preparing aryl hydroxamates SQUIBB & SONS INC (US) 1991-05-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed