SCHEMBL8911799

SCHEMBL8911799

COC(=O)C1CCCN1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.49
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 1/20 0.46
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
FKBP1A P62942 1/20 0.44
ALOX5 P09917 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MMP2 P08253 1/20 0.42
ANPEP P15144 1/20 0.42
SCN9A Q15858 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7026294 1.00 LTA4H (0.49) LTA4HALDH1A1SMN1; SMN2KMT2AMAPK1
Hydrochloric Acid SCHEMBL3540725 0.91 LTA4H (0.47) LTA4HALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL7016053 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1HTTCYP2C19
SCHEMBL7016050 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1HTTCYP2C19
Hydrochloric Acid SCHEMBL3545106 0.84 L3MBTL1 (0.46) LTA4HNPC1RAB9A
SCHEMBL6656271 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1HTTKDM4E
SCHEMBL25967749 0.80 KMT2A (0.50) LTA4HKMT2AFKBP1AALOX5TSHR
SCHEMBL30675399 0.79 POLB (0.47) LTA4HALDH1A1SMN1; SMN2KMT2AFKBP1A
Hydrochloric Acid SCHEMBL5941225 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2KMT2AMAPK1HTT
SCHEMBL20253879 0.76 KMT2A (0.46) LTA4HKMT2AFKBP1ATSHR

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-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed