SCHEMBL11241583

SCHEMBL11241583

CC(c1ccco1)[C@@]1(C(=O)O)CCCN1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
POLB P06746 4/20 0.38
PKM P14618 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN7 P35236 1/20 0.38
BLM P54132 1/20 0.38
ESR2 Q92731 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 3/20 0.36
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 9/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP3A4 P08684 2/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
USP2 O75604 1/20 0.33
CYP2C9 P11712 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
SCHEMBL11243304 0.80 LMNA (0.37) ALDH1A1TDP1HPGDTSHRRECQL
SCHEMBL10991133 0.73 BRD4 (0.38) POLBALDH1A1HPGDCYP2D6
SCHEMBL13715066 0.71 ARG1 (0.34)
SCHEMBL8016763 0.71 ARG1 (0.34)
SCHEMBL23884534 0.70 AKR1C1 (0.37) ALDH1A1TDP1NPSR1CYP2D6TSHR
SCHEMBL1818488 0.70 AKR1C1 (0.37) ALDH1A1TDP1NPSR1CYP2D6TSHR
SCHEMBL28507597 0.69 LMNA (0.36) ALDH1A1TDP1HPGDTSHR
SCHEMBL10987532 0.68 LMNA (0.36) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL11237656 0.68 LMNA (0.36) KMT2APOLBPKMPTPN1PTPN7
SCHEMBL10992272 0.68 LMNA (0.37) KMT2APOLBL3MBTL1ALDH1A1MEN1

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-4316905-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-02-23 US disclosed