SCHEMBL31005475

SCHEMBL31005475

COc1cccc(OC)c1-c1c(OC(C)C)cc(OC(C)C)cc1OC(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MCHR1 Q99705 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ CA1 P00915 3/20 0.38
▸ CA2 P00918 3/20 0.38
▸ CA7 P43166 3/20 0.38
▸ CA9 Q16790 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ CA4 P22748 1/20 0.38
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL7794748 0.77 ALDH1A1 (0.50) CA1CA2CA7CA9CYP1A2
SCHEMBL14225415 0.76 APP (0.47) NPSR1MCHR1HDAC4HDAC8CA1
SCHEMBL31541241 0.76 CA12 (0.48) NPSR1HDAC4HDAC8CA1CA2
SCHEMBL14225424 0.76 EGFR (0.40) NPSR1MCHR1HDAC4HDAC8CA1
SCHEMBL14007405 0.76 CYP1A2 (0.50) CA1CA2CA7CA9CA12
SCHEMBL14225418 0.75 APP (0.46) NPSR1MCHR1HDAC4HDAC8CA1
SCHEMBL19521918 0.75 APP (0.46) NPSR1MCHR1HDAC4HDAC8CA1
SCHEMBL14225431 0.75 APP (0.46) NPSR1MCHR1HDAC4HDAC8CA1
SCHEMBL14225426 0.75 EGFR (0.39) NPSR1MCHR1HDAC4HDAC8CA1
SCHEMBL19612492 0.75 CA12 (0.56) NPSR1CA1CA2CA7CA9

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-118475584-A Process for producing compound represented by formula (I) 富士胶片株式会社 2024-08-09 — — CN disclosed
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