SCHEMBL5405887

SCHEMBL5405887

CCSCCP(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.35
METAP1 P53582 1/20 0.35
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 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
SCHEMBL5694888 0.88 TSHR (0.35) METAP2METAP1CYP3A4TDP1
SCHEMBL7163809 0.87 TDP1 (0.39) CYP3A4TDP1ALDH1A1MAPK1
SCHEMBL951362 0.83 METAP2 (0.35) METAP2METAP1CYP3A4TDP1TP53
SCHEMBL19206327 0.82 METAP2 (0.33) METAP2METAP1
SCHEMBL19206364 0.81 METAP2 (0.33) METAP2METAP1
Hydrochloric Acid SCHEMBL19206340 0.81 METAP2 (0.33) METAP2METAP1
SCHEMBL163845 0.80 TDP1 (0.41) CYP3A4TDP1TP53ACHEALDH1A1
SCHEMBL8735569 0.78 CYP3A4 (0.36) CYP3A4TDP1ALDH1A1MAPK1
SCHEMBL3997009 0.78 TDP1 (0.39) CYP3A4TDP1TP53ACHEALDH1A1
SCHEMBL3068169 0.78 TDP1 (0.39) CYP3A4TDP1TP53ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285607-B2 Polymerisation of olefinic compounds SASOL, CHEMICAL INDUSTRIES, LIMITED (ZA) 2007-10-23 US claimed
US-20060020091-A1 Polymerisation of olefinic compounds SASOL CHEMICAL INDUSTRIES LIMITED (ZA) 2006-01-26 US claimed
EP-3747942-A1 BRIDGED PHOSPHORUS BASED FLAME RETARDANTS EMPA Eidgenössische Materialprüfungs- und Forschungsanstalt (CH) 2020-12-09 EP disclosed
US-7285607-B2 Polymerisation of olefinic compounds SASOL, CHEMICAL INDUSTRIES, LIMITED (ZA) 2007-10-23 US disclosed
US-20060020091-A1 Polymerisation of olefinic compounds SASOL CHEMICAL INDUSTRIES LIMITED (ZA) 2006-01-26 US disclosed