SCHEMBL30022977

SCHEMBL30022977

COc1c(C)cc(-c2oc3cc(C)cc(C(=O)O)c3c2-c2cc(C)c(OC)c(C)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ ABCB1 P08183 2/20 0.34
▸ TUBB4A P04350 2/20 0.34
▸ TUBB P07437 2/20 0.34
▸ TUBA3C P0DPH7 2/20 0.34
▸ TUBA1B P68363 2/20 0.34
▸ TUBA4A P68366 2/20 0.34
▸ TUBB4B P68371 2/20 0.34
▸ TUBB3 Q13509 2/20 0.34
▸ TUBB2A Q13885 2/20 0.34
▸ TUBB8 Q3ZCM7 2/20 0.34
▸ TUBA3E Q6PEY2 2/20 0.34
▸ TUBA1A Q71U36 2/20 0.34
▸ TUBA1C Q9BQE3 2/20 0.34
▸ TUBB6 Q9BUF5 2/20 0.34
▸ TUBB2B Q9BVA1 2/20 0.34

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
SCHEMBL30023352 0.86 RXRA (0.38) HPGDCNR2CA2HSD17B10KDM4E
SCHEMBL30022887 0.80 ALDH1A1 (0.50) HPGDCA2ABCB1TUBB4ATUBB
SCHEMBL30022891 0.78 KDM4E (0.52) HPGDCA2HSD17B10ABCB1TUBB4A
SCHEMBL28668413 0.78 MEN1 (0.47) HPGDTSHRABCB1KDM4EMAPT
SCHEMBL30020913 0.76 MAPT (0.48) HPGDCNR2HSD17B10KDM4EMAPT
SCHEMBL30023283 0.75 KDM4E (0.45) HPGDCA2ABCB1KDM4EPOLB
SCHEMBL28677868 0.75 KDM4E (0.45) HPGDCA2ABCB1KDM4EPOLB
SCHEMBL30022975 0.74 PTGS2 (0.41) HPGDKDM4EMAPTRXFP1ALDH1A1
SCHEMBL30023487 0.74 DHODH (0.45) ABCB1MAPT
SCHEMBL28677812 0.74 CA12 (0.42) CA2HSD17B10KDM4EMAPTCYP2C19

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-113754619-B Method for preparing polysubstituted benzofuran-4-formic acid compound under catalysis of ruthenium 广州大学 2022-12-20 — — CN disclosed
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