SCHEMBL10712333

SCHEMBL10712333

CC(C)(C)c1ccc(-c2ccc3c(c2)CC(=O)N3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ GRIA1 P42261 4/20 0.57
▸ PGR P06401 4/20 0.57
▸ CACNG8 Q8WXS5 2/20 0.57
▸ KIF11 P52732 2/20 0.57
▸ CYP1A2 P05177 1/20 0.55
▸ CYP11B1 P15538 1/20 0.55
▸ CYP11B2 P19099 1/20 0.55
▸ AHR P35869 1/20 0.51
▸ PDE4A P27815 1/20 0.50
▸ PDE4B Q07343 1/20 0.50
▸ PDE4C Q08493 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ TDP2 O95551 1/20 0.49
▸ BMPR1B O00238 1/20 0.48
▸ BMPR1A P36894 1/20 0.48
▸ TGFBR1 P36897 1/20 0.48
▸ ACVRL1 P37023 1/20 0.48
▸ ACVR1 Q04771 1/20 0.48

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
SCHEMBL4893991 0.89 KIF11 (0.73) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL2054644 0.88 AHR (0.56) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL25094235 0.88 PGR (0.63) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL1903306 0.84 KIF11 (0.80) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL3132725 0.80 PGR (0.73) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL22340014 0.79 BRD4 (0.56) PDE3BPDE3AKIF11BRD4CREBBP
SCHEMBL19538981 0.79 AHR (0.53) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL27859220 0.79 PDE3B (0.64) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL10711906 0.78 PDE3B (0.68) PDE3BPDE3AGRIA1PGRCACNG8
SCHEMBL1900155 0.78 AHR (0.77) PDE3BPDE3AGRIA1PGRCACNG8

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
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 — — US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 — — US disclosed
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