SCHEMBL31459345

SCHEMBL31459345

CCOC(=O)c1c(F)ccc(C(F)(F)F)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC4 P56524 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
POLB P06746 1/20 0.42
GRM6 O15303 1/20 0.41
TSHR P16473 3/20 0.40
NPC1 O15118 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7929905 0.84 ALDH1A1 (0.49) ALDH1A1L3MBTL1HDAC4HDAC6HDAC3
SCHEMBL8157649 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1HDAC4HDAC6HDAC3
SCHEMBL22208710 0.78 TAS2R14 (0.42) ALDH1A1HDAC6HPGDLMNASMN1; SMN2
SCHEMBL26122448 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1HDAC4HDAC6HDAC3
SCHEMBL33525972 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31459205 0.78 CA12 (0.47) ALDH1A1CA12CA1CA2CA7
SCHEMBL8158046 0.77 ALDH1A1 (0.48) ALDH1A1L3MBTL1HDAC4HDAC6HDAC3
SCHEMBL1998230 0.77 CA12 (0.59) ALDH1A1L3MBTL1HDAC4HDAC6HDAC3
SCHEMBL1997194 0.76 CA12 (0.53) ALDH1A1CA12CA1CA2CA7
SCHEMBL13465571 0.76 HDAC3 (0.39) ALDH1A1L3MBTL1HDAC4HDAC6HDAC3

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-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 WO disclosed