SCHEMBL21358780

SCHEMBL21358780

Cc1ccc(S(=O)(=O)O)cc1CCC(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
ALDH1A1 P00352 7/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
SNCA P37840 1/20 0.35
HSD17B10 Q99714 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL8446501 0.89 SNCA (0.36) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL10596213 0.85 ALDH1A1 (0.41) ALDH1A1LMNAMAPTGAACYP2C19
SCHEMBL21358833 0.84 CYP1A2 (0.39) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL16684874 0.82 LMNA (0.43) ALDH1A1LMNAMAPTCYP2D6L3MBTL1
SCHEMBL8134017 0.82 TDP1 (0.39) ALDH1A1LMNAMAPTGAACYP1A2
SCHEMBL10598218 0.82 SNCA (0.39) ALDH1A1LMNAMAPTGAACYP2C19
SCHEMBL10503748 0.81 LMNA (0.38) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL10963612 0.81 LMNA (0.38) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL10961388 0.81 LMNA (0.38) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL10961874 0.81 LMNA (0.38) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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
WO-2019178079-A9 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC. (US) 2019-12-12 WO disclosed
WO-2019178079-A1 INHIBITORS OF TYROSINE KINASE 2 MEDIATED SIGNALING ABBVIE INC. (US) 2019-09-19 WO disclosed