SCHEMBL9075147

SCHEMBL9075147

Cc1ccc(S(=O)(=O)OC2C[C@@H](C(=O)O)N(C(=O)OCc3ccccc3)C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
MAPT P10636 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
MCL1 Q07820 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 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
SCHEMBL7347260 1.00 ELANE (0.45) ELANELMNAPOLBCA1CA2
SCHEMBL9075150 1.00 ELANE (0.45) ELANELMNAPOLBCA1CA2
SCHEMBL15978652 0.93 POLB (0.45) ELANELMNAPOLBCA1CA2
SCHEMBL16256989 0.93 ELANE (0.49) ELANELMNAPOLBCA1CA2
SCHEMBL29510702 0.93 ELANE (0.49) ELANELMNAPOLBCA1CA2
SCHEMBL15978657 0.92 ELANE (0.44) ELANELMNAPOLBCA1CA2
SCHEMBL2569236 0.91 ELANE (0.45) ELANELMNAPOLBCA1CA2
SCHEMBL7408543 0.91 ELANE (0.45) ELANELMNAPOLBCA1CA2
SCHEMBL2569233 0.91 ELANE (0.45) ELANELMNAPOLBCA1CA2
SCHEMBL8477961 0.91 GAA (0.46) ELANELMNAPOLBCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5583146-A Heterocyclic thrombin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US disclosed
EP-0052991-B1 CARBOXYALKYL AMINO ACID DERIVATIVES OF VARIOUS SUBSTITUTED PROLINES E.R. Squibb & Sons, Inc. (US) 1987-02-04 EP disclosed
US-4578474-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1986-03-25 US disclosed
US-4497953-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-05 US disclosed
US-4462943-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1984-07-31 US disclosed
US-4390695-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1983-06-28 US disclosed
EP-0052991-A1 Carboxyalkyl amino acid derivatives of various substituted prolines E.R. Squibb & Sons, Inc. (US) 1982-06-02 EP disclosed
US-4310461-A HYPTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1982-01-12 US disclosed
US-4241076-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1980-12-23 US disclosed