SCHEMBL2827489

SCHEMBL2827489

CC(=O)N1c2ccccc2C[C@@H]1C(=O)O.[Na]

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
ACE P12821 3/20 0.60

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
SCHEMBL31207052 0.98 NOTUM (0.66) NOTUMACE
SCHEMBL2824813 0.98 NOTUM (0.66) NOTUMACE
SCHEMBL29697839 0.98 NOTUM (0.66) NOTUMACE
SCHEMBL2830596 0.98 NOTUM (0.66) NOTUMACE
SCHEMBL30745240 0.98 NOTUM (0.66) NOTUMACE
SCHEMBL2824809 0.98 NOTUM (0.66) NOTUMACE
SCHEMBL2827480 0.97 NOTUM (0.64) NOTUMACE
SCHEMBL2827485 0.97 NOTUM (0.64) NOTUMACE
SCHEMBL4707127 0.87 NOTUM (0.68) NOTUMACE
SCHEMBL16350248 0.87 NOTUM (0.68) NOTUMACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100330625-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE INDOLINE-2-CARBOXYLIC ACID OR DERIVATIVE THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2010-12-30 US disclosed
EP-2251431-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE INDOLINE-2-CARBOXYLIC ACID OR DERIVATIVE THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2010-11-17 EP disclosed