SCHEMBL9345772

SCHEMBL9345772

CCOCCOC(=O)c1ccnc(C(=O)OCCOCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
JMJD6 Q6NYC1 5/20 0.46
LMNA P02545 1/20 0.45
PIK3CA P42336 1/20 0.43
JMJD7 P0C870 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
SERPINE1 P05121 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
KDM6B O15054 1/20 0.40
TET3 O43151 1/20 0.40
KDM4A O75164 1/20 0.40
BBOX1 O75936 1/20 0.40
MAPT P10636 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
ASPH Q12797 1/20 0.40

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
SCHEMBL8406007 0.86 JMJD6 (0.59) SMN1; SMN2JMJD6LMNAPIK3CAALDH1A1
SCHEMBL930636 0.86 JMJD6 (0.57) SMN1; SMN2JMJD6LMNAPIK3CAJMJD7
SCHEMBL29466587 0.86 JMJD6 (0.57) SMN1; SMN2JMJD6LMNAPIK3CAJMJD7
SCHEMBL17518838 0.85 JMJD6 (0.59) SMN1; SMN2JMJD6LMNAPIK3CAKDM4E
SCHEMBL9561789 0.85 TSHR (0.47) JMJD6PIK3CAJMJD7CA12CA1
SCHEMBL8408330 0.84 L3MBTL1 (0.55) SMN1; SMN2JMJD6LMNAALDH1A1KDM4E
SCHEMBL4582464 0.78 L3MBTL1 (0.57) SMN1; SMN2JMJD6ALDH1A1KDM4EKDM6B
SCHEMBL17798294 0.78 SMN1; SMN2 (0.69) SMN1; SMN2LMNASERPINE1ALDH1A1TSHR
SCHEMBL9561675 0.78 MAPT (0.45) JMJD6LMNASERPINE1ALDH1A1KDM4E
SCHEMBL9345729 0.78 LMNA (0.58) SMN1; SMN2LMNACA12CA1CA2

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-5364873-A Influencing metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
US-5238948-A Influence metabolism of collagen or biosynthesis of C1q HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-24 US disclosed