SCHEMBL7435365

SCHEMBL7435365

COc1ccc2c(c1)OC(C=O)CO2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.50
FFAR1 O14842 2/20 0.45
CYP19A1 P11511 3/20 0.44
MAPT P10636 5/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL7445863 0.94 MTNR1A (0.44) MTNR1AFFAR1CYP19A1MAPTMAPK1
SCHEMBL7436292 0.80 CA2 (0.48) FFAR1CYP19A1GAANPC1RAB9A
SCHEMBL1878665 0.78 MTNR1A (0.51) MTNR1AFFAR1CYP19A1MAPTMAPK1
SCHEMBL21198815 0.77 MAOB (0.59) FFAR1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL21198816 0.77 MAOB (0.59) FFAR1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13054558 0.77 GABRA1 (0.50) MTNR1ACYP19A1MAPTMAPK1TDP1
SCHEMBL1878664 0.76 MTNR1A (0.50) MTNR1AFFAR1CYP19A1MAPTMAPK1
SCHEMBL7434309 0.76 CA2 (0.48) FFAR1CYP19A1MAOB
SCHEMBL7435383 0.76 MTNR1A (0.56) MTNR1AFFAR1MAPTTDP1GAA
SCHEMBL17594263 0.75 DHFR (0.34) MTNR1AFFAR1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3902798-B1 N-(4-(OXAZOL-5-YL)PHENYL)CHROMANE-3-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS STIMULATORS OF THE PRODUCTION OF RETINAL PRECURSOR CELLS FOR THE TREATMENT OF NEURORETINAL DISEASES ENDOGENA THERAPEUTICS INC (US) 2023-12-20 EP disclosed
US-4558129-A Benzodioxanyl-hydroxyethylene-piperazinyl acetanilides which effect calcium entry and β-blockade SYNTEX (U.S.A.) INC. (US) 1985-12-10 US disclosed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed