SCHEMBL29288404

SCHEMBL29288404

CCCc1cc(C)ccc1S(=O)(=O)OCO

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.33
AMY1A P0DUB6 1/20 0.33
MEP1B Q16820 2/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
MAPT P10636 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ENPP1 P22413 1/20 0.30

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
SCHEMBL30195988 0.86 ALDH1A1 (0.38) POLBTSHRCASP1CASP7SMN1; SMN2
SCHEMBL16637942 0.80 KDM4E (0.35) POLBTSHRCASP1CASP7SMN1; SMN2
SCHEMBL3339137 0.79 HSD17B10 (0.39) LMNAPOLBAMY1AMEP1BTSHR
SCHEMBL16637747 0.79 POLB (0.33) LMNAPOLBTSHRCASP1CASP7
Ammonia Solution, Strong SCHEMBL28142626 0.78 HSD17B10 (0.38) LMNAPOLBAMY1AMEP1BTSHR
SCHEMBL28823865 0.76 RAPGEF4 (0.38) LMNAPOLBMEP1BTSHRCASP1
SCHEMBL8215092 0.76 CA2 (0.42) POLBAMY1ASMN1; SMN2KDM4EALDH1A1
SCHEMBL28029394 0.75 MAPT (0.41) LMNAPOLBTSHRKDM4EALDH1A1
SCHEMBL31124728 0.75 POLB (0.33) LMNAPOLBMEP1BTSHRCASP1
SCHEMBL16039242 0.75 MAPT (0.41) LMNAPOLBAMY1ATSHRKDM4E

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-107980042-B Aryldihydro-2H-benzo [ b ] [1,4] oxazine sulfonamides and related compounds as ROR gamma agonists and for the treatment of disease 莱斯拉公司 2021-10-08 CN disclosed