SCHEMBL9494449

SCHEMBL9494449

CCC(=O)OC(=O)CC.CCC(=O)OC(=O)CC.O=C(OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 4/20 0.54
ELANE P08246 1/20 0.53
F2 P00734 1/20 0.52
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
TDP1 Q9NUW8 4/20 0.48
SLC6A3 Q01959 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
SLC6A2 P23975 1/20 0.47
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9858271 1.00 LMNA (0.55) LMNATSHRELANEF2CES2
SCHEMBL242716 0.94 LMNA (0.57) LMNATSHRELANEF2CES2
SCHEMBL8853090 0.92 LMNA (0.55) LMNATSHRELANEF2CES2
SCHEMBL20531234 0.92 LMNA (0.55) LMNATSHRELANEF2CES2
SCHEMBL28868136 0.92 LMNA (0.55) LMNATSHRELANEF2CES2
SCHEMBL25220849 0.90 LMNA (0.53) LMNATSHRELANEF2CES2
SCHEMBL28160533 0.90 LMNA (0.53) LMNATSHRELANEF2CES2
SCHEMBL9305925 0.86 ELANE (0.53) LMNATSHRELANEF2CES2
SCHEMBL7678291 0.86 ALDH1A1 (0.56) LMNATSHRELANEF2CES2
SCHEMBL7678289 0.86 ALDH1A1 (0.56) LMNATSHRELANEF2CES2

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
US-5221739-A Acetylation of 3-hydroxymethyl cephalosporins ELI LILLY AND COMPANY (US) 1993-06-22 US claimed
EP-0456515-A1 Polyimides and thermosetting resin compositions containing the same Hitachi Chemical Co., Ltd. (JP) 1991-11-13 EP disclosed
US-4046760-A Process for preparing 1-α-hydroxy cholesterol derivatives MERCK & CO., INC. (US) 1977-09-06 US disclosed