SCHEMBL6687090

SCHEMBL6687090

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C(O)CO)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ADRB2 P07550 2/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8710096 0.85 PPARG (0.33) MEN1ALDH1A1KMT2A
SCHEMBL6255084 0.82
SCHEMBL7209110 0.81 PDCD1 (0.35) PDCD1CD274ADRB2
SCHEMBL5709182 0.79 PDCD1 (0.34) PDCD1CD274
SCHEMBL3163967 0.77 BRD4 (0.33) PDCD1CD274
SCHEMBL7930455 0.77 BRD4 (0.33) PDCD1CD274
SCHEMBL7202513 0.77 PDCD1 (0.33) PDCD1CD274
SCHEMBL7624920 0.76 BCHE (0.33) PDCD1CD274
Hydrochloric Acid SCHEMBL8168468 0.76 BRD4 (0.33) PDCD1CD274
SCHEMBL8678769 0.76 BRD4 (0.33) PDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257587-B1 HYDROGENATION OF UNSATURATED POLYMERS USING DIVALENT DIENE-CONTAINING BIS-CYCLOPENTADIENYL GROUP IV METAL CATALYSTS DOW GLOBAL TECHNOLOGIES INC (US) 2004-06-23 EP claimed
US-6476283-B1 Hydrogenation of unsaturated polymers using divalent diene-containing bis-cyclopentadienyl group IV metal catalysts THE DOW CHEMICAL COMPANY 2002-11-05 US claimed
US-6476283-B1 Hydrogenation of unsaturated polymers using divalent diene-containing bis-cyclopentadienyl group IV metal catalysts THE DOW CHEMICAL COMPANY 2002-11-05 US disclosed