SCHEMBL7759099

SCHEMBL7759099

COC(=O)CCOC(=O)C(C)(C)O[C]=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8421827 0.81 TSHR (0.44) TSHRALDH1A1
SCHEMBL3845082 0.78 HCAR2 (0.34) TSHRLMNAALDH1A1
SCHEMBL12920504 0.77 TSHR (0.50) TSHRKMT2AMEN1LMNACA12
SCHEMBL7064188 0.77 ABCB11 (0.30) TSHR
SCHEMBL1420928 0.75 ALDH1A1 (0.45) TSHRLMNAALDH1A1
SCHEMBL7059527 0.75 DGAT1 (0.39) KMT2ALMNAALDH1A1
SCHEMBL7064864 0.74 CYP4F2 (0.43) TSHRKMT2AMEN1LMNAKDM4E
SCHEMBL801638 0.73 TSHR (0.44) TSHRKMT2AMEN1LMNACA12
SCHEMBL7065716 0.69 NPC1 (0.35) TSHR
SCHEMBL7059507 0.69 TSHR (0.37) TSHRALDH1A1MAPTHSD17B10

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
WO-2001066077-A1 USE OF 4-OXORETINOL AND DERIVATIVES THEREOF IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-09-13 WO disclosed