SCHEMBL27558162

SCHEMBL27558162

C=CCS(=O)(=O)c1cccc(-c2ccccc2C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.46
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MYC P01106 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX12 P18054 1/20 0.38
CA12 O43570 2/20 0.38

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
SCHEMBL6157293 0.84 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1KDM4ECA1
SCHEMBL27484512 0.78 FOLH1 (0.48) FOLH1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8664882 0.77 FOLH1 (0.50) FOLH1TSHRSMN1; SMN2ALDH1A1CA1
SCHEMBL27498472 0.76 FOLH1 (0.38) FOLH1TSHRSMN1; SMN2ALDH1A1KDM4E
SCHEMBL27263387 0.74 ALDH1A1 (0.36) TSHRSMN1; SMN2ALDH1A1KDM4ECA2
SCHEMBL28981705 0.74 FOLH1 (0.61) FOLH1TSHRALDH1A1MYCMAPT
SCHEMBL28014587 0.74 KMT2A (0.45) TSHRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL27346903 0.73 KDM4E (0.45) TSHRSMN1; SMN2ALDH1A1KDM4ECA1
SCHEMBL27643364 0.73 ALDH1A1 (0.44) TSHRSMN1; SMN2ALDH1A1KDM4ECA1
SCHEMBL27481653 0.73 ALDH1A1 (0.43) TSHRSMN1; SMN2ALDH1A1KDM4ECA1

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
CN-1301289-A Rf active compositions for use in adhesion, bonding and coating AMERITHERM INC (US) 2001-06-27 CN disclosed
CN-87107206-A Vapor-permeable, water-proof bicomponent structure DU PONT (US) 1988-06-08 CN disclosed