SCHEMBL11865914

SCHEMBL11865914

CCOC(=O)C(C)(Cc1ccccc1N(C)C)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP8 P22894 2/20 0.49
▸ PIN1 Q13526 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ TSHR P16473 4/20 0.38
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ABCB11 O95342 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8434452 0.80 MMP8 (0.52) MMP8PIN1ALDH1A1RECQLHPGD
SCHEMBL19461337 0.77 KDM4E (0.49) MMP8ALDH1A1GAAPOLBNPSR1
SCHEMBL12501769 0.75 PKM (0.50) ALDH1A1TSHRCYP4F2CYP4A11SMN1; SMN2
SCHEMBL8710582 0.74 MMP8 (0.79) MMP8PIN1ALDH1A1RECQLTSHR
SCHEMBL10981821 0.73 CYP4F2 (0.65) ALDH1A1CYP4F2CYP4A11SMN1; SMN2MAPT
SCHEMBL8677565 0.72 GAA (0.39) ALDH1A1TSHRSMN1; SMN2MAPTTP53
SCHEMBL10061749 0.71 RIPK1 (0.44) ALDH1A1TSHRSMN1; SMN2MAPTTP53
SCHEMBL19491465 0.70 KDM4E (0.49) MMP8ALDH1A1RECQLGAANPSR1
SCHEMBL8706224 0.70 PKM (0.63) MMP8ALDH1A1RECQLHPGDTSHR
SCHEMBL28008239 0.70 MMP8 (0.48) MMP8PIN1ALDH1A1RECQLTSHR

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-3962269-A ANALGESICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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