SCHEMBL8320550

SCHEMBL8320550

COc1ccc(OC(=O)C2CCC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.81
HTT P42858 3/20 0.81
SMN1; SMN2 Q16637 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.58
ELANE P08246 2/20 0.55
POLB P06746 2/20 0.55
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
HPGD P15428 4/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4805229 0.96 KMT2A (0.75) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL8585264 0.95 KMT2A (0.72) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL12536537 0.92 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL3760925 0.92 KMT2A (0.68) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL25870585 0.87 KMT2A (0.61) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL29262919 0.86 KMT2A (0.60) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL26866501 0.86 ELANE (0.61) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL23720977 0.86 SMN1; SMN2 (0.59) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL18879707 0.86 KMT2A (0.59) KMT2AHTTSMN1; SMN2TDP1L3MBTL1
SCHEMBL14817250 0.86 KMT2A (0.59) KMT2AHTTSMN1; SMN2TDP1L3MBTL1

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