SCHEMBL9487455

SCHEMBL9487455

CC(CN)C[Si](C)(C)OC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.39
F2 P00734 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 3/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
RAB9A P51151 2/20 0.36

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
SCHEMBL202613 0.74 TSHR (0.46) TSHRLMNAALDH1A1F2ADRB2
SCHEMBL27286616 0.74 ALDH1A1 (0.61) TSHRLMNAALDH1A1ADRB2ADRB1
SCHEMBL21603078 0.73 TSHR (0.52) TSHRLMNAALDH1A1F2ADRB2
SCHEMBL203317 0.70 TSHR (0.58) TSHRLMNAALDH1A1F2POLB
SCHEMBL1759366 0.70 TSHR (0.58) TSHRLMNAALDH1A1F2POLB
SCHEMBL7070049 0.70 TSHR (0.58) TSHRLMNAALDH1A1F2POLB
SCHEMBL7285241 0.70 LMNA (0.54) TSHRLMNAALDH1A1F2ADRB2
SCHEMBL9127213 0.70 LMNA (0.50) TSHRLMNAF2TDP1TP53
SCHEMBL10911268 0.70 TSHR (0.44) TSHRLMNAALDH1A1F2TDP1
SCHEMBL27879469 0.70 ADRB2 (0.48) TSHRLMNAALDH1A1ADRB2ADRB1

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
EP-0232199-B1 AROMATIC BENZAMIDO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN OR VETERINARY MEDICINE AS WELL AS IN COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-02-03 EP disclosed
EP-0232199-A2 Aromatic benzamido compounds, process for their preparation and their use in human or veterinary medicine as well as in cosmetics CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1987-08-12 EP disclosed