SCHEMBL3129275

SCHEMBL3129275

CC(O)Cc1c(C(=O)O)c(C(=O)O)c2ccccc2c1CC(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
KDM4E B2RXH2 5/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
EYA3 Q99504 1/20 0.36
PDE10A Q9Y233 1/20 0.36
POLB P06746 2/20 0.35
APAF1 O14727 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
NPC1 O15118 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
SCHEMBL27745290 0.81 DHODH (0.42) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL1974562 0.79 DHODH (0.44) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL5950529 0.78 LMNA (0.40) KDM4EEYA3LMNA
SCHEMBL1079657 0.75 KDM4E (0.42) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL3129286 0.74 KMT2A (0.51) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL8853214 0.72 KDM4E (0.47) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL54422 0.71 KDM4E (0.58) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL1074424 0.70 KDM4E (0.41) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL6135859 0.70 AGTR1 (0.48) DHODHKDM4EMEN1ALDH1A1HPGD
SCHEMBL10374398 0.70 MCL1 (0.53) KDM4EMEN1ALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1801159-B1 A polytrimethylene naphthalate and method of making the same FUTURA POLYESTERS LTD (IN) 2010-07-21 EP disclosed
US-20070149756-A1 Compositions and methods of manufacturing polytrimethylene naphthalate FUTURA POLYESTERS LIMITED 2007-06-28 US disclosed
EP-1801159-A1 A polytrimethylene naphthalate and method of making the same Futura Polyesters Limited (IN) 2007-06-27 EP disclosed