SCHEMBL8941625

SCHEMBL8941625

COC(=O)C(C)OS(=O)(=O)c1cc(-c2ccccc2Cl)c2c(C)cc(C)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MAPT P10636 3/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ AKR1C2 P52895 1/20 0.33

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
SCHEMBL8941626 0.80 ELANE (0.38) ELANEGRM2TACR3KDM4ENPC1
SCHEMBL8941652 0.72 KMT2A (0.37) GRM2NPC1ALDH1A1TP53MEN1
SCHEMBL8941655 0.65 KMT2A (0.37) GRM2ALDH1A1TP53MEN1KMT2A
SCHEMBL6139499 0.63 EPHX2 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL18520686 0.63 BRAF (0.36) ELANEGRM2HSD17B10KMT2APDE2A
SCHEMBL10012543 0.62 KMT2A (0.48) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8941633 0.61 PLA2G7 (0.39) GRM2KDM4ENPC1ALDH1A1HPGD
SCHEMBL323736 0.61 KMT2A (0.45) ALDH1A1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL29364700 0.61 KMT2A (0.45) ALDH1A1PKMSMN1; SMN2MEN1KMT2A
SCHEMBL323735 0.61 KMT2A (0.45) ALDH1A1PKMSMN1; SMN2MEN1KMT2A

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
WO-1996019444-A1 SULFONATE ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1996-06-27 — — WO disclosed
US-5510379-A USEFUL FOR TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-04-23 — — US disclosed
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