SCHEMBL9407166

SCHEMBL9407166

CC[C@H](C)C(=O)c1ccc(O)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.67
GAA P10253 2/20 0.67
DBH P09172 1/20 0.67
RECQL P46063 1/20 0.67
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA7 P43166 4/20 0.51
CA9 Q16790 4/20 0.51
CA14 Q9ULX7 4/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
PTGS2 P35354 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
XDH P47989 1/20 0.47
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL9407168 1.00 KDM4E (0.67) KDM4EGAADBHRECQLCA12
SCHEMBL14595709 0.86 GAA (0.49) KDM4EGAADBHRECQLCA12
SCHEMBL9407170 0.84 HSP90AA1 (0.55) KDM4EGAADBHRECQLCA1
SCHEMBL11169004 0.84 KDM4E (0.65) KDM4EGAADBHRECQLCA12
SCHEMBL24221611 0.82 LMNA (0.48) KDM4EGAADBHRECQLMAPT
SCHEMBL17996454 0.82 TUBB1 (0.56) KDM4EGAADBHRECQL
SCHEMBL26214132 0.81 KDM4E (0.44) KDM4EGAADBHRECQLSLC6A2
SCHEMBL10000323 0.81 KDM4E (0.45) KDM4EGAADBHRECQLCA12
SCHEMBL10599135 0.80 EGFR (0.48) KDM4EGAADBHRECQLMAPT
SCHEMBL17106382 0.80 ALDH1A1 (0.49) KDM4EGAADBHRECQLMAPT

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-0315193-B1 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH & TELEPHONE (JP) 1994-04-06 EP disclosed
US-5059345-A Spontaneous polarization in wide temperature range and high speed response NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1991-10-22 US disclosed
EP-0315193-A2 Optically active compound and chiral liquid crystal composition containing the same NIPPON TELEGRAPH AND TELEPHONE CORPORATION (JP) 1989-05-10 EP disclosed