SCHEMBL22991939

SCHEMBL22991939

Cc1cc(=O)cc(C)n1/C=C/c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 17/20 0.51
▸ CCNB2 O95067 1/20 0.47
▸ CDK1 P06493 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CCNB1 P14635 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ CCNB3 Q8WWL7 1/20 0.47
▸ LCK P06239 1/20 0.47

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
SCHEMBL30352557 0.82 PDE4B (0.50) PDE4B
SCHEMBL30352704 0.77 PDE4B (0.67) PDE4B
SCHEMBL22991981 0.76 PDE4B (0.49) PDE4B
SCHEMBL22991941 0.74 PDE4B (0.65) PDE4B
SCHEMBL30352669 0.73 PDE4B (0.74) PDE4B
SCHEMBL2512334 0.71 LCK (0.86) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL13338339 0.71 LCK (0.86) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL2512336 0.71 LCK (0.86) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL22991991 0.70 PDE4B (0.78) PDE4B
SCHEMBL22991947 0.70 PDE4B (0.77) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3777979-A1 ANTI-INFLAMMATORY COMPOUND AND PREPARATION AND USE THEREOF Vivavision Biotech, Inc. (CN) 2021-02-17 — — EP disclosed
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