SCHEMBL10901972

SCHEMBL10901972

C=CC(=O)N1CCc2ccccc2C1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.60
MTNR1B P49286 1/20 0.43
HHAT Q5VTY9 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
PRCP P42785 1/20 0.41
CYP2D6 P10635 1/20 0.40
KEAP1 Q14145 2/20 0.40

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
SCHEMBL10901947 0.83 ACE (0.57) ACEMTNR1BHHATMEN1MAPT
SCHEMBL10901930 0.83 ACE (0.57) ACEMTNR1BHHATMEN1MAPT
SCHEMBL16111164 0.83 ACE (0.68) ACEMTNR1BHHATKEAP1
SCHEMBL22461193 0.82 HHAT (0.57) HHATPRCPCYP2D6
SCHEMBL22461199 0.82 HHAT (0.57) HHATPRCPCYP2D6
SCHEMBL24490384 0.81 DRD1 (0.55) ACEMTNR1BHHATMEN1MAPT
SCHEMBL24489981 0.79 ACE (0.40) ACEMTNR1BHHATMEN1MAPT
SCHEMBL24490312 0.79 DRD1 (0.44) ACEMTNR1BHHATMEN1MAPT
SCHEMBL24490306 0.79 DRD1 (0.44) ACEMTNR1BHHATMEN1MAPT
SCHEMBL19953529 0.78 ACE (0.61) ACEMTNR1BKEAP1

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-4594199-A Method for making phosphinic acid intermediates E. R. SQUIBB & SONS, INC. (US) 1986-06-10 US disclosed