SCHEMBL29070071

SCHEMBL29070071

COC(=O)c1ccc2c(c1)SCCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.49
WNT3A P56704 4/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL30569549 1.00 CTNNB1 (0.49) CTNNB1WNT3AALDH1A1KDM4EALOX15
SCHEMBL21382764 0.92 CTNNB1 (0.58) CTNNB1WNT3AALDH1A1KDM4EALOX15
SCHEMBL26654163 0.82 CTNNB1 (0.57) CTNNB1WNT3AALDH1A1NPC1RAB9A
SCHEMBL21385292 0.81 ALDH1A1 (0.55) CTNNB1WNT3AALDH1A1KDM4EALOX15
SCHEMBL26653937 0.76 ALDH1A1 (0.38) CTNNB1WNT3AALDH1A1KDM4EALOX15
SCHEMBL26653828 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL21383082 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EALOX15CASP1CASP7
SCHEMBL668237 0.76 KDM4E (0.62) ALDH1A1KDM4ENPC1RAB9ATDP1
SCHEMBL671055 0.75 CTNNB1 (0.57) CTNNB1WNT3AALDH1A1KDM4ENPC1
SCHEMBL27355436 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EALOX15CASP1CASP7

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-116745288-A Compounds and uses thereof 福霍恩治疗公司 2023-09-12 CN disclosed