SCHEMBL9839717

SCHEMBL9839717

CCCCN(CCCC)c1ccc(C(=CC(C=C(c2ccc(OC)cc2)c2ccc(N(CCCC)CCCC)cc2)C(C(=O)OC)C(=O)OC)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
CNR2 P34972 3/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
PKM P14618 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL9750389 0.82 MAOB (0.50) KDM4EPOLBKMT2AALDH1A1HPGD
SCHEMBL9749954 0.81 MAPT (0.45) HDAC3HDAC1HDAC2KDM4EPOLB
SCHEMBL9838463 0.81 EGFR (0.46) HDAC3HDAC1HDAC2CNR2EGFR
SCHEMBL9749957 0.80 HDAC3 (0.40) HDAC3HDAC1HDAC2CNR2EGFR
SCHEMBL9749961 0.78 EGFR (0.44) HDAC3HDAC1HDAC2CNR2EGFR
SCHEMBL9749949 0.78 MEN1 (0.50) HDAC3HDAC1HDAC2CNR2EGFR
SCHEMBL9839527 0.77 CNR2 (0.45) HDAC3HDAC1HDAC2CNR2EGFR
SCHEMBL9750108 0.77 MAOB (0.47) HDAC3HDAC1HDAC2KDM4EKMT2A
SCHEMBL1573445 0.74 CNR2 (0.47) CNR2EGFRERBB2SLC16A3SLC16A1
SCHEMBL10426771 0.73 EGFR (0.39) CNR2EGFRERBB2SLC16A3SLC16A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5008238-A Thermosensitive material with phenolic developer RICOH COMPANY, LTD. (JP) 1991-04-16 US disclosed