SCHEMBL9681725

SCHEMBL9681725

CCCCC(CC)(C(=O)c1ccc(N(C)C)cc1)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC11 Q96DB2 2/20 0.45
ALDH1A1 P00352 6/20 0.43
MAPT P10636 5/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 3/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MCL1 Q07820 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
CNR2 P34972 1/20 0.40
HDAC6 Q9UBN7 3/20 0.37
MEN1 O00255 2/20 0.37

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
SCHEMBL27634283 0.84 ALDH1A1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL11076358 0.83 HDAC3 (0.45) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL10384783 0.81 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL8899426 0.79 THRA (0.47) HDAC11ALDH1A1MAPTCNR2MEN1
SCHEMBL58499 0.77 KMT2A (0.51) ALDH1A1MAPTHPGDLMNARAB9A
SCHEMBL13310000 0.76 EGFR (0.39) HDAC1HDAC3HDAC2HDAC8ALDH1A1
SCHEMBL9679522 0.74 ALDH1A1 (0.52) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL4812459 0.74 RAB9A (0.47) HDAC1ALDH1A1MAPTHPGDLMNA
SCHEMBL9679885 0.74 ALDH1A1 (0.47) HDAC1HDAC3HDAC2HDAC8HDAC11
SCHEMBL4423433 0.73 MLYCD (0.34) HDAC8ALDH1A1HPGDHSD17B10HDAC6

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
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed