SCHEMBL5520187

SCHEMBL5520187

CCC(Oc1ccccn1)(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 3/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PSMB5 P28074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PTGS2 P35354 1/20 0.36
PIN1 Q13526 1/20 0.36

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
SCHEMBL5515869 0.88 TSHR (0.41) TSHRALDH1A1CYP1A2CNR1CNR2
SCHEMBL3369844 0.83 TSHR (0.48) TSHRALDH1A1CYP1A2CNR1CNR2
SCHEMBL11206142 0.79 TSHR (0.39) TSHRALDH1A1CYP1A2CNR1CNR2
SCHEMBL3368880 0.78 CNR1 (0.46) TSHRALDH1A1CYP1A2CNR1CNR2
SCHEMBL5516643 0.78 TSHR (0.46) TSHRALDH1A1CYP1A2CNR1CNR2
SCHEMBL10640000 0.76 TSHR (0.36) TSHRALDH1A1CYP1A2CNR1CNR2
SCHEMBL1805352 0.75 PPARG (0.43) ALDH1A1CYP1A2L3MBTL1
SCHEMBL24497189 0.75 LMNA (0.41) TSHRALDH1A1CYP1A2CNR1CNR2
Trifluoroacetic Acid SCHEMBL9571840 0.74 TSHR (0.46) TSHRALDH1A1CYP1A2NPC1RAB9A
SCHEMBL8181044 0.74 PPARG (0.44) TSHRALDH1A1CYP1A2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470258-B1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2013-08-28 EP disclosed
US-7250456-B2 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2007-07-31 US disclosed
US-20050148702-A1 Composition and its use for imparting water repellency to leather or furskins, textiles and other fibrous materials TFL LEDERTECHNIK GMBH (DE) 2005-07-07 US disclosed
EP-1470258-A1 COMPOSITION AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL Ledertechnik GmbH (DE) 2004-10-27 EP disclosed
WO-2003064707-A1 COMPOSITIONS AND ITS USE FOR IMPARTING WATER REPELLENCY TO LEATHER OR FURSKINS, TEXTILES AND OTHER FIBROUS MATERIALS TFL LEDERTECHNIK GMBH (DE) 2003-08-07 WO disclosed