SCHEMBL6655700

SCHEMBL6655700

C(=C/[Sn](c1ccccc1)(c1ccccc1)c1ccccc1)\[Sn](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 4/20 0.38
MAOB P27338 2/20 0.32
CYP2A6 P11509 1/20 0.32
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
CA12 O43570 1/20 0.30
GLA P06280 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL6655705 1.00 ALDH1A1 (0.38) ALDH1A1TSHRMAOBCYP2A6NPC1
SCHEMBL30631956 0.83 ALDH1A1 (0.31) ALDH1A1TSHRLMNAALOX12ACHE
SCHEMBL9998263 0.81 MAOB (0.48) ALDH1A1MAOBNPC1POLBMAPT
SCHEMBL9998267 0.81 MAOB (0.48) ALDH1A1MAOBNPC1POLBMAPT
SCHEMBL11317520 0.75 ALDH1A1 (0.41) ALDH1A1TSHRCYP2A6NPC1POLB
SCHEMBL389681 0.75 TSHR (0.41) ALDH1A1TSHRPOLB
SCHEMBL241539 0.67 ALDH1A1 (0.40) ALDH1A1TSHRCYP2A6MAPTMAPK1
SCHEMBL376165 0.67 ALDH1A1 (0.40) ALDH1A1TSHRCYP2A6MAPTMAPK1
Water SCHEMBL8463966 0.65 ALDH1A1 (0.38) ALDH1A1TSHRCYP2A6MAPTMAPK1
Hydrochloric Acid SCHEMBL28350123 0.65 ALDH1A1 (0.38) ALDH1A1TSHRCYP2A6MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0695741-B1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2004-06-16 EP claimed
US-5731452-A 7-thiaprostaglandins and method of production thereof TEIJIN LIMITED (JP) 1998-03-24 US claimed
EP-0695741-A1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-02-07 EP claimed
EP-0695741-B1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LTD (JP) 2004-06-16 EP disclosed
US-5731452-A 7-thiaprostaglandins and method of production thereof TEIJIN LIMITED (JP) 1998-03-24 US disclosed
EP-0695741-A1 7-THIAPROSTAGLANDINS AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 1996-02-07 EP disclosed