SCHEMBL29947795

SCHEMBL29947795

COc1c(C(=O)O)ccc(C)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 3/20 0.46
KDM4E B2RXH2 2/20 0.46
CLCN2 P51788 3/20 0.43
HPGD P15428 2/20 0.42
TTR P02766 2/20 0.42
NR4A1 P22736 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1B10 O60218 1/20 0.42
ABCB11 O95342 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
FABP2 P12104 1/20 0.42
RXRA P19793 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL23213504 1.00 TDP1 (0.47) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL18529850 0.86 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL1893739 0.83 ALDH1A1 (0.56) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL6646160 0.82 TDP1 (0.52) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL27544371 0.81 TDP1 (0.51) TDP1MAPTALDH1A1HSD17B10KDM4E
Ammonia Solution, Strong SCHEMBL27937320 0.81 ALDH1A1 (0.55) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL1919502 0.81 TDP1 (0.50) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL20516073 0.80 TDP1 (0.46) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL9539450 0.80 ALDH1A1 (0.46) TDP1MAPTALDH1A1HSD17B10KDM4E
SCHEMBL27598132 0.80 TDP1 (0.46) TDP1MAPTALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313047-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS Monte Rosa Therapeutics, Inc. (US) 2024-02-07 EP disclosed
WO-2022200857-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2022-09-29 WO disclosed