SCHEMBL9828079

SCHEMBL9828079

CC(C)(C)[Si](Oc1cc(C=O)oc(=O)c1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2A6 P11509 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
HIF1A Q16665 1/20 0.32
SMYD2 Q9NRG4 1/20 0.30

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
SCHEMBL3548569 0.76 ALDH1A1 (0.43) ALDH1A1HPGDSMN1; SMN2MAPTCYP2A6
SCHEMBL28447338 0.74 LMNA (0.30)
SCHEMBL30887675 0.73 RAB9A (0.56) ALDH1A1HPGDSMN1; SMN2MAPTHSD17B10
SCHEMBL5238358 0.73 ERN1 (0.41) ALDH1A1TP53HPGDSMN1; SMN2CYP3A4
SCHEMBL4521425 0.72 MAOA (0.47) ALDH1A1MAPTCYP2A6
SCHEMBL704145 0.71 CA4 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL5236553 0.70 CA4 (0.40) ALDH1A1TP53HPGDSMN1; SMN2CYP3A4
SCHEMBL25282164 0.70 ERN1 (0.44) ALDH1A1TP53CYP3A4MAPTHSD17B10
SCHEMBL7220710 0.69 PRKDC (0.33) ALDH1A1MAPTCA12CA1CA9
SCHEMBL8456921 0.69 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2MAPTCYP2A6

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-0200736-B1 PYRAZOLE ANALOGS OF MEVALONOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION AND THEIR USE SANDOZ AG (CH) 1991-04-24 EP disclosed
US-4613610-A TREATING ATHEROSCLEROSIS AND HYPERLIPEMIA SANDOZ PHARMACEUTICALS CORP. (US) 1986-09-23 US disclosed