SCHEMBL28192161

SCHEMBL28192161

CC1CC(c2cccc(C(c3cccc(C4CCC(O)C(C)C4)c3)c3ccccc3O)c2)CCC1O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ PRKG1 Q13976 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ SLC18A3 Q16572 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL27490386 0.73 AKR1C3 (0.50) SLC18A3SIGMAR1
SCHEMBL28192121 0.71 CNR1 (0.38) FFAR1
SCHEMBL29027318 0.66 GABRA1 (0.43) GABRA1GABRB2
SCHEMBL30454358 0.66 GABRA1 (0.43) GABRA1GABRB2
SCHEMBL27774521 0.65 SLC18A3 (0.51) SLC18A3SIGMAR1
SCHEMBL28941657 0.65 SLC18A3 (0.50) SLC18A3SIGMAR1
SCHEMBL25016710 0.65 SOS1 (0.40) HDAC4HDAC2HDAC8FFAR1
SCHEMBL28778571 0.64 SLC18A3 (0.50) SLC18A3SIGMAR1
SCHEMBL27995111 0.64 SLC18A3 (0.50) SLC18A3SIGMAR1
SCHEMBL10957120 0.63 TYR (0.43) GABRA1GABRB2

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-107544209-A Positive photosensitive resin composition and use thereof 奇美实业股份有限公司 2018-01-05 — — CN disclosed
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