SCHEMBL9405597

SCHEMBL9405597

COCCOCOc1cnc(C(C)(C)C)nc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
CACNA1H O95180 1/20 0.31

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
SCHEMBL9533588 0.75 NAAA (0.43) CTNNB1KDM4ERECQL
SCHEMBL9124855 0.73 CTNNB1 (0.31) CTNNB1
SCHEMBL12384145 0.73 CTNNB1 (0.42) CTNNB1KDM4ERECQL
SCHEMBL9561939 0.71 CTNNB1 (0.34) CTNNB1CACNA1H
SCHEMBL10220198 0.71 CA1 (0.37)
SCHEMBL3614998 0.70 CHRNB2 (0.39) CTNNB1
SCHEMBL9369921 0.70 KCNA3 (0.50) RECQL
SCHEMBL9120103 0.69
SCHEMBL9079873 0.69 CTNNB1 (0.39) CTNNB1KDM4ERECQL
SCHEMBL9079842 0.69 CTNNB1 (0.36) CTNNB1KDM4ERECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5356898-A Antiinflammatory agents, antiallergens, antiulcer agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
US-5340815-A Inhibitors of 5-lipoxygenase and/or cyclooxygenase WARNER-LAMBERT COMPANY (US) 1994-08-23 US disclosed
EP-0569493-A4 SUBSTITUTED 4,6-DI-TERTIARY-BUTYL-5-HYDROXY-PYRIMIDINES 1993-11-24 EP disclosed
EP-0569491-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1993-11-18 EP disclosed
EP-0569493-A1 SUBSTITUTED 4,6-DI-TERTIARY-BUTYL-5-HYDROXY-PYRIMIDINES WARNER-LAMBERT COMPANY (US) 1993-11-18 EP disclosed
WO-1992013536-A1 2-SUBSTITUTED-4,6-DI-TERTIARY-BUTYL-5-HYDROXY-1,3-PYRIMIDINES USEFUL AS ANTIINFLAMMATORY AGENTS WARNER-LAMBERT COMPANY (US) 1992-08-20 WO disclosed