SCHEMBL1944663

SCHEMBL1944663

C=C(C)C(=O)C1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
DEGS1 O15121 1/20 0.44
SLC18A3 Q16572 6/20 0.43
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPY5R Q15761 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL19868903 0.83 AKR1C3 (0.61) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL1836974 0.83 AKR1C3 (0.61) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL2448396 0.83 AKR1C3 (0.61) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL3516198 0.79 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL2511695 0.79 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL664284 0.79 NPC1 (0.79) AKR1C3AKR1C1NPC1RAB9ADEGS1
SCHEMBL11099195 0.79 AKR1C3 (0.66) AKR1C3AKR1C1NPC1RAB9ADEGS1
Methacrylic Acid SCHEMBL28100513 0.79 KMO (0.51) AKR1C3AKR1C1SLC18A3SIGMAR1KDM4E
Bicarbonate SCHEMBL1720488 0.78 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ADEGS1
Bicarbonate SCHEMBL7573346 0.78 AKR1C3 (0.63) AKR1C3AKR1C1NPC1RAB9ADEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110129622-A1 ALIGNMENT LAYER FOR LCD LACHEZAR KOMITOV (SE) 2011-06-02 US disclosed
WO-2009156483-A1 ALIGNMENT LAYER FOR LCD KOMITOV LACHEZAR (SE) 2009-12-30 WO disclosed