SCHEMBL27581097

SCHEMBL27581097

COc1c(C)c(Cc2cnccc2OC(=O)c2ccccc2)c(OC)c(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ KMT2A Q03164 6/20 0.40
▸ SLC6A3 Q01959 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL27598671 0.91 POLB (0.41) POLBKMT2ASLC6A3ALDH1A1LMNA
SCHEMBL5859139 0.76 MAPK1 (0.38) KMT2ACYP2C9
SCHEMBL27581096 0.76 KMT2A (0.43) KMT2AALDH1A1KDM4E
SCHEMBL27598662 0.75 KMT2A (0.40) POLBKMT2ASLC6A3ALDH1A1KDM4E
SCHEMBL5859939 0.74 DHODH (0.39) KMT2ACCNCCDK8CYP2C9
SCHEMBL27581186 0.72 KMT2A (0.40) POLBKMT2ASLC6A3ALDH1A1CCNC
SCHEMBL5859828 0.72 KCNA5 (0.33) KMT2ATDP1
SCHEMBL27581183 0.70 TDP1 (0.33) ALDH1A1TDP1
SCHEMBL27544390 0.70 POLB (0.55) POLBKMT2ASLC6A3ALDH1A1LMNA
SCHEMBL5859135 0.67 ROCK2 (0.41) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19

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
CN-1505603-A Substituted benzoic ac id derivatives exhibiting nf-kappab inhibiting activity ��һ��������ҩ��ʽ���� 2004-06-16 — — CN disclosed
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