SCHEMBL7519964

SCHEMBL7519964

COc1cc(C)c(C(=O)c2c(C)cccc2C)c(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.47
ABCB1 P08183 2/20 0.46
KCNB1 Q14721 2/20 0.43
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42
TUBB2B Q9BVA1 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
PTPN1 P18031 1/20 0.42
MAPT P10636 3/20 0.42

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
SCHEMBL6740389 0.94 KCNB1 (0.47) KRASABCB1KCNB1TUBB4ATUBB
SCHEMBL6852540 0.91 CYP19A1 (0.51) KRASABCB1KCNB1TUBB4ATUBB
SCHEMBL27813524 0.90 ACHE (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8464629 0.89 CA12 (0.53) KRASABCB1KCNB1TUBB4ATUBB
SCHEMBL6859660 0.87 PTPN1 (0.49) KRASABCB1KCNB1TUBB4ATUBB
SCHEMBL6148942 0.86 TUBB4A (0.44) KRASABCB1KCNB1TUBB4ATUBB
SCHEMBL12998810 0.86 PTPN1 (0.41) KRASABCB1TUBB4ATUBBTUBA3C
SCHEMBL7626410 0.85 KMT2A (0.43) KRASABCB1KCNB1MAPTHPGD
SCHEMBL6699530 0.84 PTPN1 (0.47) KRASABCB1TUBB4ATUBBTUBA3C
SCHEMBL6739738 0.84 ALDH1A1 (0.40) KRASTUBB4ATUBBTUBA3CTUBA1B

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-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed
EP-0897904-B1 Fungicidal 2-methoxybenzophenones BASF AG (DE) 2002-02-20 EP disclosed
US-6001883-A SUBSTITUTED BENZOPHENONES OF GIVEN FORMULA, SUCH AS 6,6'-DIMETHYL-2,2',3',4'-TETRAMETHOXY-5-TRIFLUOROMETHYL-BENZOPHENONE; HIGHLY SYSTEMIC FUNGICIDES; CONTROLLING FUNGAL DISEASE SUCH AS POWDERY MILDEW IN PLANTS AMERICAN CYANAMID COMPANY (US) 1999-12-14 US disclosed
US-5945567-A Fungicidal 2-methoxybenzophenones AMERICAN CYANAMID COMPANY (US) 1999-08-31 US disclosed
US-5922905-A INTERMEDIATES FOR FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1999-07-13 US disclosed
EP-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP disclosed