SCHEMBL7980473

SCHEMBL7980473

CC(=O)N/C(=C/c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
MAPT P10636 2/20 0.44
AKR1C3 P42330 1/20 0.44
RELA Q04206 1/20 0.42
GLO1 Q04760 1/20 0.41
APP P05067 1/20 0.41
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL6142224 1.00 DHODH (0.45) DHODHMAPTAKR1C3RELAGLO1
SCHEMBL7512779 1.00 DHODH (0.45) DHODHMAPTAKR1C3RELAGLO1
SCHEMBL7974579 0.85 MEN1 (0.44) DHODHMAPTAKR1C3RELAGLO1
SCHEMBL6141767 0.85 ALDH1A1 (0.46) MAPTAKR1C3APP
SCHEMBL29092110 0.85 ALDH1A1 (0.46) MAPTAKR1C3APP
SCHEMBL5896096 0.84 MAPT (0.58) MAPT
SCHEMBL5896087 0.84 MAPT (0.58) MAPT
SCHEMBL5923421 0.84 MAPT (0.58) MAPT
SCHEMBL27904468 0.83 DHODH (0.45) DHODHMAPTRELAGLO1APP
SCHEMBL388143 0.82 AKR1C3 (0.57) MAPTAKR1C3

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-6284925-B1 HYDROGENATION CATALYSTS FOR HYDROGENATION OF DOUBLE BONDS OR IMINE GROUPS DEGUSSA-HULS AG (DE) 2001-09-04 US disclosed