SCHEMBL9725754

SCHEMBL9725754

CC(C)C[C@@H](N)[C@H](O)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
PKM P14618 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN7 P35236 1/20 0.39
BLM P54132 1/20 0.39
ESR2 Q92731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AGTR1 P30556 1/20 0.36
CYP2C19 P33261 2/20 0.36
HSD17B10 Q99714 1/20 0.34
ANPEP P15144 1/20 0.34
LAP3 P28838 1/20 0.34
ADRA2A P08913 1/20 0.33

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
SCHEMBL9725757 1.00 ALOX5 (0.40) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL14944873 0.79 KDM4E (0.48) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL8321455 0.77 KMT2A (0.44) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL27728696 0.76 KMT2A (0.50) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL11151822 0.76 KMT2A (0.58) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL15272598 0.76 KMT2A (0.58) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL15272327 0.76 KMT2A (0.58) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL10147174 0.74 KMT2A (0.48) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL28961573 0.74 ALOX5 (0.42) ALOX5KMT2APOLBPKMPTPN1
SCHEMBL7319840 0.74 MIF (0.51) KMT2APOLBPKMPTPN1PTPN7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed