SCHEMBL10862500

SCHEMBL10862500

CCC(C)OCCOc1ccc(C(=O)OC)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36
CPT1B Q92523 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32

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
SCHEMBL10890777 0.82 GLS (0.31) MAPT
SCHEMBL10861574 0.78 NPSR1 (0.47) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL11713511 0.77 TSHR (0.50) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL11713886 0.77 TSHR (0.50) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL10860219 0.77 NPSR1 (0.46) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL20925876 0.76 HPGD (0.49) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL13599723 0.73 MAPT (0.71) L3MBTL1TSHRMAPK1LMNAMAPT
SCHEMBL19737233 0.72 NPSR1 (0.48) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL1529992 0.70 NPSR1 (0.56) HPGDNPSR1L3MBTL1TSHRMAPK1
SCHEMBL14597333 0.69 TSHR (0.46) HPGDNPSR1L3MBTL1TSHRMAPK1

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-4590203-A Derivatives of thiophene-2-carboxylic acid and their pharmaceutically acceptable acid or base addition salts and use in treatment of conditions caused by thromboxane A2 LAEVOSAN-GESELLSCHAFT M.B.H. & CO. KG (AT) 1986-05-20 US disclosed