SCHEMBL29239551

SCHEMBL29239551

CC(C(=O)O)(c1cccc(S)c1)c1cccc(S)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RXRA P19793 2/20 0.38
▸ RXRB P28702 2/20 0.38
▸ HIF1A Q16665 1/20 0.37
▸ ACHE P22303 3/20 0.36
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL29155388 0.80 RXRA (0.51) HDAC4HDAC2HDAC8HDAC3HDAC1
SCHEMBL26629506 0.78 HSD17B1 (0.49) HDAC4HDAC2HDAC8HDAC3HDAC1
SCHEMBL73063 0.77 HDAC3 (0.61) HDAC4HDAC2HDAC8HDAC3HDAC1
SCHEMBL27965752 0.76 HDAC3 (0.47) HDAC4HDAC2HDAC8HDAC3HDAC1
SCHEMBL629909 0.75 ESR1 (0.38) HDAC4HDAC2HDAC8RXRARXRB
SCHEMBL28727492 0.74 HDAC3 (0.59) HDAC4HDAC2HDAC8HDAC3HDAC1
Hydrochloric Acid SCHEMBL3674757 0.74 HDAC3 (0.59) HDAC4HDAC2HDAC8HDAC3HDAC1
Bromomethane SCHEMBL209562 0.74 HDAC3 (0.59) HDAC4HDAC2HDAC8HDAC3HDAC1
SCHEMBL1115573 0.74 HDAC8 (0.47) HDAC4HDAC2HDAC8HDAC3HDAC6
Hydrogen Sulfide SCHEMBL27894390 0.74 HDAC3 (0.59) HDAC4HDAC2HDAC8HDAC3HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114846032-B Radical polymerizable resin composition and cured product thereof 株式会社力森诺科 2024-06-18 — — CN disclosed
CN-117136175-A Recess filling material kit, cured product thereof, and recess filling method 株式会社力森诺科 2023-11-28 — — CN disclosed
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