SCHEMBL8970426

SCHEMBL8970426

C=C(Cc1ccccc1)OCCCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
MAPK1 P28482 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.42
DNM1 Q05193 2/20 0.42
LTA4H P09960 1/20 0.42
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
GLS O94925 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL28079753 0.81 ALDH1A1 (0.44) TSHRMAPK1ALDH1A1L3MBTL1TP53
SCHEMBL11512655 0.80 TSHR (0.52) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL456516 0.79 ALDH1A1 (0.59) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL27672935 0.77 ALDH1A1 (0.58) TSHRMAPK1ALDH1A1TDP1L3MBTL1
Hydrochloric Acid SCHEMBL27576461 0.77 L3MBTL1 (0.58) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL16877178 0.76 TSHR (0.55) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL2477251 0.76 TSHR (0.55) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL27484985 0.76 ALDH1A1 (0.56) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL3152391 0.76 TSHR (0.55) TSHRMAPK1ALDH1A1TDP1L3MBTL1
SCHEMBL7403189 0.75 ALDH1A1 (0.59) TSHRMAPK1ALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644888-B1 SULPHONIUM SALTS AND PROCESS FOR PRODUCING THEM WACKER CHEMIE GMBH (DE) 1996-03-13 EP disclosed
US-5466845-A Contain silane groups, photoinitiators WACKER-CHEMIE GMBH (DE) 1995-11-14 US disclosed
EP-0644888-A1 SULPHONIUM SALTS AND PROCESS FOR PRODUCING THEM. WACKER CHEMIE GMBH (DE) 1995-03-29 EP disclosed
WO-1993025559-A1 SULPHONIUM SALTS AND PROCESS FOR PRODUCING THEM WACKER-CHEMIE GMBH (DE) 1993-12-23 WO disclosed