SCHEMBL8196189

SCHEMBL8196189

COC(=O)CCCCCCCC(=O)CC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
LMNA P02545 4/20 0.55
ALDH1A1 P00352 1/20 0.55
EPHX2 P34913 4/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
POLA1 P09884 1/20 0.46
KDM4E B2RXH2 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HAO1 Q9UJM8 1/20 0.42

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
SCHEMBL3266395 0.98 TSHR (0.67) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL11173057 0.93 TSHR (0.75) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL31578944 0.90 TSHR (0.70) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL11313358 0.90 TSHR (0.70) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL31579008 0.90 TSHR (0.70) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL31578856 0.90 TSHR (0.70) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL3526699 0.89 TSHR (0.50) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL10705661 0.89 TSHR (0.50) TSHRLMNAALDH1A1EPHX2KMT2A
Hydrochloric Acid SCHEMBL9033471 0.88 TSHR (0.67) TSHRLMNAALDH1A1EPHX2KMT2A
SCHEMBL31578986 0.87 TSHR (0.74) TSHRLMNAALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6013823-A AS CHEMICAL INTERMEDIATES; UTROTONIC AGENTS, BRONCHODIALATORS NEW PHARMA INTERNATIONAL CORP. (UY) 2000-01-11 US disclosed
US-5817694-A OXYTOCICS NEW PHARMA INTERNATIONAL CORP. (UY) 1998-10-06 US disclosed
EP-0574185-B1 PGE1 analogs NEWPHARMA INTERNATIONAL CORP (UY) 1997-09-03 EP disclosed
EP-0574185-A2 PGE1 analogs NEWPHARMA INTERNATIONAL CORPORATION (UY) 1993-12-15 EP disclosed
US-3980700-A Prostaglandin intermediates and optically active isomers thereof G. D. SEARLE & CO. (US) 1976-09-14 US disclosed
US-3980700-A Prostaglandin intermediates and optically active isomers thereof G. D. SEARLE & CO. (US) 1976-09-14 US disclosed
US-3932467-A Process for the production of 2β-formyl 3α-protected hydroxy-5-oxocyclopentane-1α-heptanoic acids and esters corresponding G. D. SEARLE & CO. (US) 1976-01-13 US disclosed