SCHEMBL8319487

SCHEMBL8319487

O=C(Oc1cccs1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 2/20 0.43
ELANE P08246 2/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
HPGD P15428 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MIF P14174 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL8198206 0.97 KMT2A (0.50) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL8203929 0.95 POLB (0.49) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL27318954 0.93 SMN1; SMN2 (0.44) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
Hydrochloric Acid SCHEMBL27383606 0.84 MMP1 (0.41) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL6597161 0.76 EPHX1 (0.42) KMT2AL3MBTL1MMP1MMP2MMP9
SCHEMBL7271802 0.76 MMP1 (0.40) ELANEMMP1MMP2MMP9MMP12
SCHEMBL3122718 0.76 MMP1 (0.40) ELANEMMP1MMP2MMP9MMP12
SCHEMBL27707429 0.75 MMP1 (0.41) KMT2ASMN1; SMN2POLBMMP1MMP2
SCHEMBL4594986 0.73 ALDH1A1 (0.39) KMT2APOLBMMP1MMP2MMP9
SCHEMBL1616681 0.73 MMP1 (0.51) KMT2ASMN1; SMN2TDP1L3MBTL1POLB

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
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed