SCHEMBL6936595

SCHEMBL6936595

COC(=O)c1ccccc1Sc1ccc(OCCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
MAPT P10636 5/20 0.46
RAB9A P51151 1/20 0.46
CRBN Q96SW2 1/20 0.44
SLC6A9 P48067 1/20 0.43
PKLR P30613 1/20 0.43
HTT P42858 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP12 P39900 2/20 0.41
MMP14 P50281 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL6937194 0.81 HSD17B10 (0.44) CHRM2CHRM1CHRM3HSD17B10POLB
SCHEMBL5887723 0.79 SIRT1 (0.61) HSD17B10POLBMAPTPKLRHTT
SCHEMBL14176672 0.78 MAPT (0.56) CHRM2CHRM1CHRM3HSD17B10POLB
SCHEMBL6934406 0.78 HSD17B10 (0.53) CHRM2CHRM1CHRM3HSD17B10POLB
SCHEMBL19245677 0.75 MAPT (0.48) HSD17B10MAPTRAB9ASLC6A9KMT2A
SCHEMBL4440485 0.75 HSD17B10 (0.64) HSD17B10POLBMAPTRAB9APKLR
SCHEMBL6935101 0.75 MMP2 (0.53) POLBMAPTRAB9ASLC6A9MMP2
SCHEMBL6936853 0.74 MAPT (0.66) MAPTRAB9AHTTKMT2AKDM4E
SCHEMBL19599641 0.74 SLC6A9 (0.49) CHRM2CHRM1CHRM3HSD17B10POLB
SCHEMBL12772114 0.74 ALDH1A1 (0.51) CHRM2CHRM1CHRM3HSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed