SCHEMBL11560802

SCHEMBL11560802

O=C(O)C1[CH]c2ccccc2CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
PIN1 Q13526 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ACE P12821 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 1/20 0.33
PLAU P00749 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
SCHEMBL11566800 1.00 MTNR1A (0.37) MTNR1AMTNR1BTSHRNPSR1GAA
SCHEMBL15110135 0.81 GAA (0.42) TSHRNPSR1GAAMAPTMAOA
SCHEMBL27348749 0.81 GAA (0.42) TSHRNPSR1GAAMAPTMAOA
SCHEMBL3519807 0.70 RAB9A (0.48) MTNR1AMTNR1BAKR1C3AKR1C1ANPEP
SCHEMBL15049345 0.69 MTNR1A (0.40) MTNR1AMTNR1BTSHRGAAMAPT
SCHEMBL27277678 0.69 MAOA (0.36) MTNR1AMTNR1BMAOAMAOBAKR1C3
SCHEMBL18243384 0.68 PLAU (0.38) TSHRMAOBANPEPPLAU
SCHEMBL17765413 0.68 PLAU (0.38) TSHRMAOBANPEPPLAU
SCHEMBL18378200 0.68 PLAU (0.38) TSHRMAOBANPEPPLAU
SCHEMBL15049696 0.68 MAOB (0.39) MTNR1AMTNR1BMAOBPLAU

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-4152527-A 15-Substituted-ω-pentanorprostaglandins PFIZER INC. (US) 1979-05-01 US disclosed