SCHEMBL7315538

SCHEMBL7315538

O=C(C[C@@H](Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.75
CPA1 P15085 7/20 0.70
CPA3 P15088 3/20 0.70
CPB1 P15086 1/20 0.70
CPB2 Q96IY4 1/20 0.70
CYP1A2 P05177 1/20 0.68
KMO O15229 1/20 0.68
MME P08473 1/20 0.60
FOLH1 Q04609 2/20 0.59
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL3104186 1.00 TSHR (0.75) TSHRCPA1CPA3CPB1CPB2
SCHEMBL11127553 0.89 BCL2L1 (0.64) TSHRCPA1CPA3CPB1CPB2
SCHEMBL11252444 0.89 TSHR (0.64) TSHRCPA1CPA3CPB1CPB2
SCHEMBL11244593 0.89 TSHR (0.64) TSHRCPA1CPA3CPB1CPB2
SCHEMBL3113026 0.89 KMO (0.63) TSHRCPA1CPA3CPB1CPB2
SCHEMBL2338269 0.89 KMO (0.63) TSHRCPA1CPA3CPB1CPB2
SCHEMBL9554501 0.89 KMO (0.72) TSHRCPA1CPA3CPB1CPB2
SCHEMBL3664996 0.89 KMO (0.63) TSHRCPA1CPA3CPB1CPB2
SCHEMBL2347491 0.89 KMO (0.63) TSHRCPA1CPA3CPB1CPB2
SCHEMBL7319589 0.89 KMO (0.72) TSHRCPA1CPA3CPB1CPB2

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-5459131-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1995-10-17 US disclosed