SCHEMBL28696201

SCHEMBL28696201

CCN(Cc1ccccc1)C(=O)OCc1ccc(Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.50
PTGDR2 Q9Y5Y4 6/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
TSPO P30536 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TBXA2R P21731 1/20 0.45
PTGIR P43119 1/20 0.45
PTGDR Q13258 1/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL28696202 1.00 LMNA (0.53) LMNAALDH1A1PTGDR2HDAC1HDAC6
SCHEMBL13687190 0.91 LMNA (0.62) LMNAALDH1A1PTGDR2L3MBTL1TSHR
SCHEMBL21591698 0.86 CCR6 (0.44) LMNAALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL21591622 0.86 PIN1 (0.46) LMNAALDH1A1L3MBTL1TSPOHSD17B10
SCHEMBL16553793 0.84 ALDH1A1 (0.44) LMNAALDH1A1HDAC1HDAC6TSHR
SCHEMBL16665613 0.83 ALDH1A1 (0.58) LMNAALDH1A1PTGDR2L3MBTL1TSHR
SCHEMBL1901573 0.83 CHRNB2 (0.53) LMNAALDH1A1HDAC1HDAC6L3MBTL1
SCHEMBL27364470 0.82 CCR6 (0.55) LMNAALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL7367394 0.82 CRHBP (0.58) LMNAALDH1A1NPC1
SCHEMBL16553708 0.81 CCR6 (0.41) LMNAALDH1A1HDAC1HDAC6TSHR

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-109071560-B Thienopyridine carboxamides as ubiquitin-specific protease inhibitors 瓦洛健康公司 2022-01-14 CN disclosed