SCHEMBL7039335

SCHEMBL7039335

CCCOC(=O)C(C)(C)CCl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HCAR2 Q8TDS4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.31
GRM1 Q13255 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL1164887 0.84 CYP4F2 (0.41) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
SCHEMBL669239 0.82 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1LMNATSHR
SCHEMBL1105061 0.82 HCAR2 (0.39) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
SCHEMBL25808957 0.82 ALDH1A1 (0.50) CYP4F2CYP4A11ALDH1A1TSHRHSD17B10
SCHEMBL28329181 0.80 CYP4F2 (0.47) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
SCHEMBL8849916 0.80 CYP4F2 (0.46) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
SCHEMBL25810026 0.79 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL18856225 0.78 HCAR2 (0.36) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
SCHEMBL129864 0.78 HCAR2 (0.36) CYP4F2CYP4A11HCAR2ALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL27957647 0.78 CYP4F2 (0.44) CYP4F2CYP4A11HCAR2ALDH1A1LMNA

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
EP-0900803-B1 PROCESS FOR THE PREPARATION OF 1-ALKOXY-1-TRIMETHYLSILYLOXYCYCLOPROPANES IHARA CHEMICAL IND CO (JP) 2003-03-26 EP disclosed
US-5994572-A REACTING MICROGRANULAR METALLIC SODIUM DISPERSED IN A HYDROCARBON SOLVENT WITH A BETA-HALOGENOCARBOXYLIC ACID ESTER IHARA CHEMICAL INDUSTRY CO., LTD (JP) 1999-11-30 US disclosed
EP-0900803-A1 PROCESS FOR THE PREPARATION OF 1-ALKOXY-1-TRIMETHYLSILYLOXYCYCLOPROPANES IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1999-03-10 EP disclosed