SCHEMBL6830563

SCHEMBL6830563

C=Cc1ccc(CC(=O)CC(=O)CC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
SLC6A4 P31645 1/20 0.34
IAPP P10997 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MCL1 Q07820 1/20 0.33
PSMD14 O00487 1/20 0.33

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
SCHEMBL10706111 0.84 TAS1R3 (0.40) TAS1R3TAS1R1ALDH1A1TDP1CHRNB2
SCHEMBL9680264 0.83 ALDH1A1 (0.50) TAS1R3TAS1R1ALDH1A1TDP1CYP1A2
SCHEMBL4403341 0.78 HPGD (0.51) ALDH1A1TDP1LMNASMN1; SMN2
SCHEMBL10227143 0.78 KMT2A (0.42) TAS1R3TAS1R1ALDH1A1TP53CYP4Z1
SCHEMBL14275048 0.77 IAPP (0.53) TAS1R3TAS1R1ALDH1A1TDP1THRB
SCHEMBL1898335 0.77 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1TDP1CHRNB2
SCHEMBL1406138 0.77 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1TDP1CYP1A2
SCHEMBL7503862 0.76 CES2 (0.52) TDP1
SCHEMBL10591543 0.76 POLB (0.47) TAS1R3TAS1R1ALDH1A1TDP1CHRNB2
SCHEMBL6257338 0.75 CYP4F2 (0.58) TAS1R3TAS1R1ALDH1A1TP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4011201-A POLYMERS OF MONOMERS CONTAINING ACTIVE METHYLENE GROUPS AND OTHER ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1977-03-08 US claimed
US-20040247934-A1 Light emitting material and organic light-emitting device SAMSUNG ELECTRONICS CO., LTD (KR) 2004-12-09 US disclosed
EP-1407501-A2 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE Showa Denko K.K. (JP) 2004-04-14 EP disclosed
WO-2003001616-A2 LIGHT EMITTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE SHOWA DENKO K.K. (JP) 2003-01-03 WO disclosed
US-4088499-A METHYLENE GROUP CONTAINING POLYMERS EASTMAN KODAK COMPANY (US) 1978-05-09 US disclosed
US-4011201-A POLYMERS OF MONOMERS CONTAINING ACTIVE METHYLENE GROUPS AND OTHER ETHYLENICALLY UNSATURATED MONOMERS EASTMAN KODAK COMPANY (US) 1977-03-08 US disclosed
US-3939130-A Polymers of monomers containing active methylene groups and other ethylenically unsaturated monomers INDICON INC. (US) 1976-02-17 US disclosed