SCHEMBL29922140

SCHEMBL29922140

CC1(C)Cc2cc(F)ccc2C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MAOB P27338 3/20 0.41
KDM4E B2RXH2 1/20 0.40
SRD5A1 P18405 2/20 0.38
AVPR1A P37288 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
PARP1 P09874 1/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 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
SCHEMBL30512967 0.80 MALT1 (0.43) MALT1ALDH1A1MAPTMAOBKDM4E
SCHEMBL29922056 0.80 LMNA (0.53) ALDH1A1MAPTMAOBKDM4EL3MBTL1
SCHEMBL1110064 0.77 POLB (0.54) MAPTMAOBL3MBTL1POLBLMNA
SCHEMBL15724661 0.75 AKR1B1 (0.46) MALT1ALDH1A1MAPTMAOBKDM4E
SCHEMBL21131588 0.74 ALDH1A1 (0.46) ALDH1A1MAOBSRD5A1CA1CA2
SCHEMBL20951663 0.74 CA1 (0.43) MALT1ALDH1A1SRD5A1CA1CA2
SCHEMBL29920457 0.73 ALDH1A1 (0.67) ALDH1A1MAPTMAOBKDM4E
SCHEMBL1569957 0.73 ALDH1A1 (0.67) ALDH1A1MAPTMAOBKDM4E
SCHEMBL29922163 0.73 CA1 (0.42) ALDH1A1MAPTMAOBKDM4ECA1
SCHEMBL9220704 0.72 AKR1B1 (0.42) MALT1ALDH1A1MAPTMAOBKDM4E

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
WO-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 WO disclosed