SCHEMBL9305925

SCHEMBL9305925

CCC(=O)OC(=O)c1ccc([C](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.53
LMNA P02545 2/20 0.50
TSHR P16473 3/20 0.48
F2 P00734 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.42

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
SCHEMBL242716 0.92 LMNA (0.57) ELANELMNATSHRF2CES2
SCHEMBL28868136 0.90 LMNA (0.55) ELANELMNATSHRF2CES2
SCHEMBL20531234 0.90 LMNA (0.55) ELANELMNATSHRF2CES2
SCHEMBL8853090 0.90 LMNA (0.55) ELANELMNATSHRF2CES2
SCHEMBL25220849 0.89 LMNA (0.53) ELANELMNATSHRF2CES2
SCHEMBL28160533 0.89 LMNA (0.53) ELANELMNATSHRF2CES2
SCHEMBL9858271 0.86 LMNA (0.55) ELANELMNATSHRF2CES2
SCHEMBL9494449 0.86 LMNA (0.55) ELANELMNATSHRF2CES2
SCHEMBL8309453 0.85 SMN1; SMN2 (0.61) ELANESMN1; SMN2KMT2AMAPTL3MBTL1
Hydrochloric Acid SCHEMBL25258598 0.84 SMN1; SMN2 (0.59) ELANESMN1; SMN2KMT2AMAPTL3MBTL1

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-5336686-A Glucocorticoid, progesterone and androgen antagonists; hormone inhibitors; antiproliferative activity; antitumor and carcinogenic agents ROUSSEL-UCLAF (FR) 1994-08-09 US disclosed