SCHEMBL11458342

SCHEMBL11458342

Cc1cc(C(=O)C(F)(F)F)c(O)c(Cc2c(O)c(C)cc(C(=O)C(F)(F)F)c2O)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.39
CXCL12 P48061 1/20 0.39
HDAC4 P56524 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC3 O15379 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
XBP1 P17861 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX1 P51575 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
NQO1 P15559 1/20 0.32
POLB P06746 1/20 0.32
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL11464682 0.79 HSD17B10 (0.44) HDAC6HDAC1MEN1MAPTKMT2A
SCHEMBL11456323 0.79 BCL2 (0.44) GAACA1CA2
SCHEMBL11457691 0.78 PRKCI (0.36) HDAC4HDAC6HDAC1HDAC3MEN1
SCHEMBL11469231 0.75 TYR (0.37) MEN1MAPTKMT2AHTTMLYCD
SCHEMBL11466492 0.73 ALOX5 (0.40) MEN1MAPTKMT2AHTTGAA
SCHEMBL11458745 0.72 HSPA5 (0.36) HMGB1CXCL12HDAC4HDAC6HDAC1
SCHEMBL11458448 0.72 BCL2 (0.50) HDAC4HDAC6HDAC1HDAC3POLB
SCHEMBL13924151 0.69 PPARA (0.38) HDAC4HDAC6HDAC1MEN1MAPT
SCHEMBL20756339 0.69 CES1 (0.38) HTTP2RX1ESR1ESR2CA1
SCHEMBL26606973 0.67 ALDH1A1 (0.33) HTTP2RX1ESR1ESR2ACHE

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-4225619-A BACTERICIDES, FUNGICIDES BOEHRINGER INGELHEIM GMBH (DE) 1980-09-30 US disclosed