SCHEMBL27468465

SCHEMBL27468465

COC(=O)c1cccc(C(=O)OC(=O)OC(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 1/20 0.47
CYP4F2 P78329 2/20 0.46
CYP4A11 Q02928 2/20 0.46
RAB9A P51151 3/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA7 P43166 1/20 0.42
XDH P47989 1/20 0.42
CA14 Q9ULX7 1/20 0.42
SLC7A5 Q01650 2/20 0.42
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL558157 0.86 TSHR (0.53) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL27464601 0.84 TSHR (0.55) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL27760277 0.83 ADRB2 (0.47) LOXL2TSHRPOLBALDH1A1NPC1
SCHEMBL8689435 0.82 TSHR (0.61) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL25720425 0.81 ESR1 (0.52) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL27315365 0.81 TDP1 (0.56) TSHRPOLBALDH1A1SLC7A5TP53
SCHEMBL20023253 0.81 LOXL2 (0.47) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL34953 0.80 TSHR (0.70) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL27521022 0.80 TSHR (0.55) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL110296 0.79 SLC7A5 (0.58) LOXL2TSHRCYP4F2CYP4A11ALDH1A1

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
CN-1168636-A Liposomal agents NYCOMED SALUTAR INC (US) 1997-12-24 CN disclosed