SCHEMBL8995963

SCHEMBL8995963

CC(=O)c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C.Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C(C)(C)C)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HNF4A P41235 2/20 0.34
MAPT P10636 6/20 0.33
KMT2A Q03164 5/20 0.33
LMNA P02545 4/20 0.33
MEN1 O00255 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 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
SCHEMBL996479 0.76 MAPT (0.46) MAPK1ALDH1A1MAPTKMT2ALMNA
SCHEMBL273394 0.70 TSHR (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL4928732 0.68 TDP1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL4928738 0.68 TDP1 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL113330 0.68 SMN1; SMN2 (0.36) MAPK1ALDH1A1MAPTKMT2AMEN1
SCHEMBL28127457 0.68 TSHR (0.41) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL22554339 0.67 NPC1 (0.35) MAPK1ALDH1A1MAPTKMT2ALMNA
SCHEMBL28360177 0.64 GAA (0.41) MAPK1ALDH1A1MAPTLMNANPC1
SCHEMBL1224154 0.63 TSHR (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2HTT
SCHEMBL11048383 0.62 TDP1 (0.36) MAPK1ALDH1A1MAPTKMT2AMEN1

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-5501805-A CONTAINING MUSK, SALICYLATE, ADDITIONAL FRAGRANCES; HAVING LOW ODOR INTENSITY LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-03-26 US claimed