SCHEMBL2994576

SCHEMBL2994576

Cc1cccc(C(=O)C2CCC(C(=O)O)C2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C1 Q04828 2/20 0.42
MEN1 O00255 1/20 0.39
AKR1B10 O60218 1/20 0.39
TRPA1 O75762 1/20 0.39
ABCB11 O95342 1/20 0.39
DHFR P00374 1/20 0.39
LMNA P02545 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
AKR1B1 P15121 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1C2 P52895 1/20 0.39

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
SCHEMBL2994577 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2AKR1C3AKR1C1
SCHEMBL2994573 1.00 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2AKR1C3AKR1C1
SCHEMBL2996406 0.87 AKR1C3 (0.49) AKR1C3AKR1C1CYP2C9ALDH1A1HPGD
SCHEMBL2996404 0.87 AKR1C3 (0.49) AKR1C3AKR1C1CYP2C9ALDH1A1HPGD
SCHEMBL2996403 0.87 AKR1C3 (0.49) AKR1C3AKR1C1CYP2C9ALDH1A1HPGD
SCHEMBL11551399 0.87 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2AKR1C3AKR1C1
SCHEMBL2996249 0.75 AKR1C3 (0.46) AKR1C3AKR1C1MEN1KMT2AALDH1A1
SCHEMBL2996251 0.75 AKR1C3 (0.46) AKR1C3AKR1C1MEN1KMT2AALDH1A1
SCHEMBL2996246 0.75 AKR1C3 (0.46) AKR1C3AKR1C1MEN1KMT2AALDH1A1
SCHEMBL2877248 0.74 HTR2C (0.44) AKR1C3AKR1C1MEN1PTGS2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8444774-B2 Flux composition and process for use thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-05-21 US disclosed
US-7780801-B2 for soldering flip chip surfaces; fluxing agent comprises keto acid such as levulinic acid or acetylbutyric acid; mixture of tacky solvent (ethoxylated glycerol) with non-tacky solvent (methanol) INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-08-24 US disclosed
US-20100175790-A1 New Flux Composition and Process For Use Thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-07-15 US disclosed
US-20080124568-A1 New flux composition and process for use thereof GLOBALFOUNDRIES INC. (KY) 2008-05-29 US disclosed