SCHEMBL11537183

SCHEMBL11537183

O=C(O)C1(C(=O)O)CC2CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.43
GRM4 Q14833 7/20 0.33
CYP2C19 P33261 5/20 0.33
CYP1A2 P05177 3/20 0.33
GRM6 O15303 3/20 0.33
GRM2 Q14416 3/20 0.33
GRM3 Q14832 3/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
GRM8 O00222 2/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 2/20 0.33
MTOR P42345 2/20 0.33
GRM5 P41594 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PLCB1 Q9NQ66 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
SCHEMBL6105605 0.82 GRM4 (0.35) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL11460947 0.81 GRM1 (0.35) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL27457235 0.76 ALDH1A1 (0.35) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL5203259 0.73 CYP2C19 (0.35) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL6686381 0.73 CYP2C19 (0.35) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL9058677 0.72 GRM4 (0.58) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL7140236 0.71 GRM4 (0.56) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL1661517 0.71 GRM4 (0.33) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL13529287 0.71 GRM4 (0.39) GRM1GRM4CYP2C19CYP1A2GRM6
SCHEMBL4650803 0.71 CYP2D6 (0.35) GRM1GRM4CYP2C19CYP1A2GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4149017-A FERTILITY CONTROL, ANTIULCER AGENTS, BRONCHODILATOR, ANTICOAGULANT MILES LABORATORIES, INC. (US) 1979-04-10 US disclosed
US-4115438-A SMOOTH MUSCLE ACTIVITY, ANTICLOTTING, ANTISECRETORY, BLOOD PRESSURE MILES LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4115453-A SMOOTH MUSCLE ACTIVITY, ANTICOAGULANTS, ANTISECRETORY, HYPOTENSIVE MILES LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4108892-A ANTICOAGULATNS, SMOOTH MUSCLE ACTIVITY MODIFIERS, ANTISECRETORY MILES LABORATORIES, INC. (US) 1978-08-22 US disclosed