SCHEMBL2996404

SCHEMBL2996404

Cc1ccccc1C(=O)C1CCC(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
ALDH1A1 P00352 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA5 P08648 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SLC6A1 P30531 2/20 0.42
HPGD P15428 1/20 0.41
HSD11B1 P28845 1/20 0.41
MGLL Q99685 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
ERCC5 P28715 1/20 0.40
FEN1 P39748 1/20 0.40
MAPT P10636 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
SCHEMBL2996403 1.00 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1ITGB1ITGA5
SCHEMBL2996406 1.00 AKR1C3 (0.49) AKR1C3AKR1C1ALDH1A1ITGB1ITGA5
SCHEMBL2994577 0.87 TAS1R3 (0.43) AKR1C3AKR1C1ALDH1A1SLC6A1HPGD
SCHEMBL2994573 0.87 TAS1R3 (0.43) AKR1C3AKR1C1ALDH1A1SLC6A1HPGD
SCHEMBL2994576 0.87 TAS1R3 (0.43) AKR1C3AKR1C1ALDH1A1SLC6A1HPGD
SCHEMBL728684 0.86 NPC1 (0.50) ALDH1A1ITGB1ITGA5NPC1RAB9A
SCHEMBL2996249 0.81 AKR1C3 (0.46) AKR1C3AKR1C1ALDH1A1NPC1RAB9A
SCHEMBL2996246 0.81 AKR1C3 (0.46) AKR1C3AKR1C1ALDH1A1NPC1RAB9A
SCHEMBL2996251 0.81 AKR1C3 (0.46) AKR1C3AKR1C1ALDH1A1NPC1RAB9A
SCHEMBL23579159 0.79 NPC1 (0.56) ALDH1A1NPC1RAB9AHPGDHSD11B1

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