SCHEMBL9091102

SCHEMBL9091102

CCOC(=O)C(C(=O)OCC)C(=O)n1cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
LPO P22079 2/20 0.38
PIN1 Q13526 1/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
MMP8 P22894 1/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34

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
SCHEMBL1109685 0.78 ALDH1A1 (0.43) LMNALPOCYP1A2ALDH1A1TSHR
SCHEMBL27810242 0.76 ALDH1A1 (0.42) LMNALPOCYP1A2ALDH1A1TSHR
Hydrochloric Acid SCHEMBL29837126 0.76 ALDH1A1 (0.42) LMNALPOPIN1CYP1A2ALDH1A1
SCHEMBL425250 0.74 ALDH1A1 (0.56) LMNAPIN1ALDH1A1MEN1NPC1
SCHEMBL8906464 0.72 PIN1 (0.39) LMNALPOPIN1CYP1A2ALDH1A1
SCHEMBL10028356 0.72 MAPT (0.40) LMNAPIN1CYP1A2ALDH1A1MEN1
SCHEMBL27504170 0.72 METAP2 (0.42) ALDH1A1KDM4EPOLBRAB9A
SCHEMBL3086153 0.71 ALDH1A1 (0.53) LMNAPIN1ALDH1A1MEN1NPC1
SCHEMBL1363735 0.70 SOAT1 (0.48) LMNAPIN1ALDH1A1MEN1NPC1
SCHEMBL21765608 0.70 KDM4E (0.33) LMNAPIN1ALDH1A1MEN1NPC1

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-5532381-A Process for preparing pyrrolizine derivatives DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 1996-07-02 US disclosed