SCHEMBL29155388

SCHEMBL29155388

CC(C)(C)c1cccc(C(C)(C(=O)O)c2cccc(C(C)(C)C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.51
▸ RXRB P28702 3/20 0.51
▸ HDAC8 Q9BY41 4/20 0.50
▸ ACHE P22303 3/20 0.50
▸ HDAC4 P56524 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ NOTUM Q6P988 1/20 0.44
▸ RXRG P48443 1/20 0.43
▸ HDAC6 Q9UBN7 3/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ CYP26B1 Q9NR63 2/20 0.42
▸ CYP26A1 O43174 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41

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
SCHEMBL29156179 0.82 GABRA1 (0.50) RXRARXRBRXRGCYP1A2MAPT
SCHEMBL26629506 0.82 HSD17B1 (0.49) HDAC8ACHEHDAC4HDAC2HDAC6
SCHEMBL27588944 0.82 RXRA (0.50) RXRARXRBHDAC8ACHEHDAC4
SCHEMBL19125667 0.81 KMT2A (0.46) RXRARXRBKCNK9NR1H4KMT2A
SCHEMBL29239551 0.80 HDAC4 (0.40) RXRARXRBHDAC8ACHEHDAC4
SCHEMBL73063 0.80 HDAC3 (0.61) HDAC8HDAC4HDAC2HDAC6HDAC3
Propionic Acid SCHEMBL28979772 0.79 ACHE (0.53) RXRARXRBHDAC8ACHEHDAC4
SCHEMBL129151 0.79 HDAC8 (0.56) RXRARXRBHDAC8ACHEHDAC4
SCHEMBL27965752 0.79 HDAC3 (0.47) HDAC8HDAC4HDAC2HDAC6HDAC3
Hydrochloric Acid SCHEMBL3674757 0.78 HDAC3 (0.59) HDAC8HDAC4HDAC2HDAC6HDAC3

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-108699310-B Curable resin composition, fuel cell, and sealing method 三键有限公司 2024-02-20 — — CN disclosed
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