SCHEMBL6457262

SCHEMBL6457262

COC1(c2ccc(C(C)c3ccc(C4(OC)OC4(C)C)cc3)cc2)OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
PDCD1 Q15116 1/20 0.35
ESR2 Q92731 1/20 0.35
CD274 Q9NZQ7 1/20 0.35

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
SCHEMBL10458825 0.76 CA1 (0.46)
SCHEMBL4429077 0.74 ALDH1A1 (0.35) ESR1ESR2
SCHEMBL727474 0.73 CYP1A1 (0.35)
SCHEMBL17265633 0.73 TSHR (0.37)
SCHEMBL19315862 0.72
SCHEMBL3672322 0.72 LMNA (0.31)
SCHEMBL12535871 0.72 IDO1 (0.44)
SCHEMBL1553584 0.69 ALDH1A1 (0.37)
SCHEMBL834546 0.60 CA1 (0.61) ESR1PDCD1ESR2CD274
SCHEMBL9069753 0.58 ESR1 (0.41) ESR1PDCD1ESR2CD274

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-1523506-A1 NEW DIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2005-04-20 EP disclosed
WO-2004009651-A1 NEW DIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-01-29 WO disclosed