SCHEMBL9114885

SCHEMBL9114885

CCCOc1c(C(=O)O)ccc2c1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK8 P45983 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CCNB2 O95067 1/20 0.34
CCNE2 O96020 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27841694 0.83 KMT2A (0.47) KMT2AHTTLMNAL3MBTL1MAPK8
SCHEMBL4154550 0.82 PTPN11 (0.49) KMT2AL3MBTL1MAPK8PDE10ACCNB2
SCHEMBL28423414 0.76 KMT2A (0.53) KMT2ALMNAMAPK8PDE10ACCNB2
SCHEMBL15847243 0.76 CNR2 (0.44) KMT2AALDH1A1KDM4EHSD17B10TDP1
SCHEMBL12697313 0.74 TSHR (0.51) L3MBTL1ALDH1A1KDM4ETDP1RARA
SCHEMBL9114881 0.74 CNR1 (0.43) KMT2AALDH1A1KDM4EHSD17B10CNR2
SCHEMBL28382463 0.74 HTT (0.41) KMT2AHTTLMNAL3MBTL1MAPK8
SCHEMBL93424 0.73 AHR (0.38) KMT2AHTTL3MBTL1ALDH1A1KDM4E
SCHEMBL10686849 0.72 KMT2A (0.39) KMT2AHTTLMNAL3MBTL1MAPK8
SCHEMBL15226369 0.72 KMT2A (0.39) KMT2AHTTLMNAL3MBTL1MAPK8

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-0667876-A1 ANISOTROPIC POLYMERS AND METHOD OF PRODUCING THEM EUROPÄISCHE WIRTSCHAFTSGEMEINSCHAFT (E.W.G.) (LU) 1995-08-23 EP disclosed
WO-1995007308-A1 ANISOTROPIC POLYMERS AND METHOD OF PRODUCING THEM EUROPÄISCHE WIRTSCHAFTSGEMEINSCHAFT (LU) 1995-03-16 WO disclosed