SCHEMBL8327638

SCHEMBL8327638

CCOC(=O)C(C)(C(=O)OCC)c1ncccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
TSHR P16473 4/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.40
MMP8 P22894 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
ABCB11 O95342 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38

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
SCHEMBL8332118 0.84 TP53 (0.39) PIN1TSHRTP53MMP8CYP1A2
SCHEMBL17007916 0.82 SMN1; SMN2 (0.40) PIN1TSHRNPC1LMNATP53
SCHEMBL3739399 0.81 TSHR (0.48) PIN1TSHRNPC1LMNACYP1A2
SCHEMBL8329339 0.80 LMNA (0.47) PIN1TSHRNPC1LMNATP53
SCHEMBL8327633 0.79 TSHR (0.39) PIN1TSHRNPC1LMNATP53
SCHEMBL27682770 0.77 CHRM2 (0.56) PIN1LMNAMMP8GAAMEN1
SCHEMBL25230166 0.76 ABCB11 (0.42) PIN1TSHRNPC1LMNACYP1A2
SCHEMBL30486599 0.76 ABCB11 (0.42) PIN1TSHRNPC1LMNACYP1A2
SCHEMBL30711682 0.75 CYP4F2 (0.41) PIN1TSHRNPC1LMNATP53
SCHEMBL8327636 0.75 PIN1 (0.40) PIN1TSHRNPC1LMNAMMP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908863-A ANTIGROWTH AGENT FOR BONES DOMPE' S.P.A. (IT) 1999-06-01 US disclosed
EP-0792878-A2 Geminal carboxylic acids and esters thereof, pharmaceutical formulations containing them useful in the treatment of bone dysmetabolism Dompé S.P.A. (IT) 1997-09-03 EP disclosed