SCHEMBL7791006

SCHEMBL7791006

Cc1ccc(Cc2ccccc2[Se]c2ccccc2Cc2ccc(C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
POLB P06746 2/20 0.39
KEAP1 Q14145 1/20 0.38
SLC5A2 P31639 2/20 0.38
HSP90AA1 P07900 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
SLC5A1 P13866 1/20 0.37
LMNA P02545 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL7789727 0.84 TP53 (0.44) KEAP1SLC5A2TSHRSLC5A1SLC6A2
SCHEMBL7781951 0.83 CALM1 (0.50) IDO1KEAP1CYP3A4SMN1; SMN2HTR2A
SCHEMBL9403954 0.83 SLC6A2 (0.47) IDO1POLBKEAP1SLC5A2CYP3A4
SCHEMBL6378299 0.79 POLB (0.51) IDO1POLBKEAP1SLC5A2CYP3A4
SCHEMBL2140027 0.79 HTR2A (0.54) POLBCYP3A4CYP2D6TSHRCYP2C19
SCHEMBL16153738 0.78 TAAR1 (0.47) IDO1POLBKEAP1CYP3A4CYP2D6
SCHEMBL7791011 0.77 CYP3A4 (0.45) CYP3A4CYP2D6TSHRCYP2C19NPC1
SCHEMBL6547993 0.75 POLB (0.45) IDO1POLBKEAP1SLC5A2HSP90AA1
SCHEMBL5000663 0.73 POLB (0.44) IDO1POLBKEAP1SLC5A2HSP90AA1
SCHEMBL11658684 0.73 POLB (0.44) IDO1POLBKEAP1SLC5A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814095-B1 Process for producing a shaped product MENICON CO LTD (JP) 2001-10-24 EP disclosed
US-5866047-A Process for producing a shaped product MENICON CO., LTD. (JP) 1999-02-02 US disclosed
EP-0814095-A2 Process for producing a shaped product Menicon Co., Ltd. (JP) 1997-12-29 EP disclosed