SCHEMBL7128255

SCHEMBL7128255

O=C(O)CCc1ccccc1O.O=C(O)CCc1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.65
KEAP1 Q14145 1/20 0.56
TAAR1 Q96RJ0 1/20 0.54
FFAR1 O14842 3/20 0.52
POLB P06746 1/20 0.51
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
HSPA5 P11021 1/20 0.50
IAPP P10997 1/20 0.48
MPO P05164 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47

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
SCHEMBL35529 1.00 AKR1B1 (0.65) AKR1B1KEAP1TAAR1FFAR1POLB
SCHEMBL29373796 1.00 AKR1B1 (0.65) AKR1B1KEAP1TAAR1FFAR1POLB
Methane SCHEMBL1275762 0.98 AKR1B1 (0.63) AKR1B1KEAP1TAAR1FFAR1POLB
Butane SCHEMBL28254816 0.92 AKR1B1 (0.57) AKR1B1KEAP1TAAR1FFAR1POLB
SCHEMBL1827150 0.88 AKR1B1 (0.61) AKR1B1KEAP1TAAR1FFAR1HSPA5
SCHEMBL59198 0.86 KEAP1 (0.65) AKR1B1KEAP1FFAR1PTGER1PTGER4
SCHEMBL3623274 0.86 AKR1B1 (0.59) AKR1B1TAAR1IAPPMPOHDAC3
SCHEMBL11751573 0.84 IAPP (0.59) AKR1B1TAAR1HSPA5IAPPMPO
SCHEMBL16230472 0.84 MAPT (0.61) AKR1B1IAPPHDAC3MAPK1ADRA1A
SCHEMBL17078364 0.84 MAPT (0.61) AKR1B1IAPPHDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660524-B1 First nucleic acid sequence linked to and regulates expression of a second nucleic acid sequence that encodes a regulator polypeptide; and a third nucleic acid sequence linked to and regulates expression of a target nucleic acid ADVANCED TECHNOLOGIES (CAMBRIDGE) LIMITED (GB) 2003-12-09 US claimed