SCHEMBL11686997

SCHEMBL11686997

COc1ccc2c(c1)C(=O)c1ccccc1CC2C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
EDNRB P24530 3/20 0.53
EDNRA P25101 3/20 0.53
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.45
ATM Q13315 2/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL14395399 0.80 ATM (0.47) EDNRBEDNRAMAPTALDH1A1KDM4E
SCHEMBL6881129 0.77 ACHE (0.63) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL1520733 0.75 SIRT1 (0.45) MTNR1AMTNR1BACHE
SCHEMBL10623445 0.72 ALDH1A1 (0.64) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5337855 0.72 MAPK14 (0.67) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL21465813 0.72 ATM (0.45) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL5158375 0.72 LMNA (0.55) ALDH1A1SMN1; SMN2KDM4EGAALMNA
SCHEMBL11199810 0.71
SCHEMBL3759572 0.70 MAPK14 (0.64) MAPTRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL10692678 0.70 METAP1 (0.63) MAPTRAB9ANPC1ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4041173-A ANTI-ASTHMATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1977-08-09 US disclosed