SCHEMBL28742831

SCHEMBL28742831

Cc1cc(C(C)(C)C)cc(C)c1-c1cc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ HTR1D P28221 2/20 0.39
▸ GABRA1 P14867 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36
▸ SENP7 Q9BQF6 1/20 0.36
▸ SENP6 Q9GZR1 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36

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
SCHEMBL29574902 0.78 POLB (0.46) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL30544624 0.77 GRIN2D (0.38) —
SCHEMBL27974117 0.71 POLB (0.55) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL201608 0.69 POLB (0.52) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL21184164 0.69 NPC1 (0.39) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL21118269 0.69 POLB (0.47) POLBHTR1DALDH1A1RAB9ANPC1
SCHEMBL12622270 0.68 POLB (0.46) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL8664743 0.68 POLB (0.57) POLBHTR1DGABRA1GABRB2ALDH1A1
SCHEMBL30704467 0.67 TDP1 (0.47) POLBGABRA1GABRB2ALDH1A1TSHR
SCHEMBL17358861 0.67 ALDH1A1 (0.42) POLBHTR1DALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573449-B Catalyst for preparing carboxylic acid chloride by carboxylic acid phosgenation reaction and application thereof 联化科技(德州)有限公司 2024-07-19 — — CN disclosed
CN-114573449-B Catalyst for preparing carboxylic acid chloride by carboxylic acid phosgenation reaction and application thereof 联化科技(德州)有限公司 2024-07-19 — — CN disclosed
CN-114573449-A Catalyst for preparing carboxylic acid chloride through carboxylic acid phosgenation reaction and application of catalyst 联化科技(德州)有限公司 2022-06-03 — — CN disclosed
CN-114573449-A Catalyst for preparing carboxylic acid chloride through carboxylic acid phosgenation reaction and application of catalyst 联化科技(德州)有限公司 2022-06-03 — — CN disclosed
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