SCHEMBL4444697

SCHEMBL4444697

CCC1CCC(CC(=O)O)CC1.[CaH2]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
SLC6A12 P48065 5/20 0.43
SLC6A11 P48066 5/20 0.43
SLC6A13 Q9NSD5 5/20 0.43
SLC6A1 P30531 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRA4 P48169 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FFAR4 Q5NUL3 4/20 0.36
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
FFAR3 O14843 1/20 0.35

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
SCHEMBL939470 0.98 ANPEP (0.47) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL939469 0.98 ANPEP (0.47) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL4444944 0.95 ANPEP (0.46) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL4446796 0.95 ANPEP (0.46) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL10955465 0.91 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL10844935 0.91 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL10955457 0.91 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL24197646 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL74792 0.84
SCHEMBL28300354 0.84 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1630201-B1 POLYPHENYLENE SULFIDE RESIN COMPOSITIONS TORAY INDUSTRIES (JP) 2014-12-10 EP disclosed
US-7569635-B2 Polyphenylene sulfide resin compositions TORAY INDUSTRIES, INC. (JP) 2009-08-04 US disclosed
CN-100349979-C Polyphenylene sulfide resin compositions TORAY INDUSTRIES (JP) 2007-11-21 CN disclosed
US-20070021549-A1 Polyphenylene sulfide resin compositions TORAY INDUSTRIES, INC. (JP) 2007-01-25 US disclosed
CN-1798808-A Polyphenylene sulfide resin compositions TORAY INDUSTRIES (JP) 2006-07-05 CN disclosed
EP-1630201-A1 POLYPHENYLENE SULFIDE RESIN COMPOSITIONS TORAY INDUSTRIES, INC. (JP) 2006-03-01 EP disclosed