SCHEMBL11554169

SCHEMBL11554169

CC1(C)C(=O)N(CCOC(=O)CCS)C(=O)N1CCOC(=O)CCS

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 3/20 0.40
TSHR P16473 2/20 0.34
MAPK1 P28482 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.30

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
SCHEMBL10878204 0.89 PLA2G7 (0.42) PLA2G7TSHRALDH1A1RAB9APOLB
SCHEMBL11332808 0.81 ALDH1A1 (0.41) PLA2G7TSHRALDH1A1RAB9AMAPT
SCHEMBL22722643 0.77 PLA2G7 (0.39) PLA2G7MAPK1RAB9AAPEX1
SCHEMBL11641539 0.77 PLA2G4B (0.41) PLA2G7MAPK1ALDH1A1RAB9AMAPT
SCHEMBL5808485 0.76 TSHR (0.42) PLA2G7TSHRALDH1A1RAB9AHSD17B10
SCHEMBL11551599 0.75 GAA (0.41) PLA2G7ALDH1A1MAPTTDP1GAA
SCHEMBL11389592 0.73 RAB9A (0.38) PLA2G7RAB9APOLB
Mercaptopropionic Acid SCHEMBL11554168 0.73 KMT2A (0.33) PLA2G7ALDH1A1RAB9A
SCHEMBL11054800 0.73 PLA2G7 (0.36) PLA2G7
SCHEMBL17933772 0.72 FNTA (0.36) TSHRMAPK1ALDH1A1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132812-A FREE RADICAL INITIATOR W. R. GRACE & CO. (US) 1979-01-02 US disclosed
US-4117196-A PHOTOCURABLE IMIDIZABLE POLYENE-POLYTHIOL COMPOSITIONS W. R. GRACE & CO. (US) 1978-09-26 US disclosed
US-4080484-A POLYAMIDE-ACID OR POLYIMIDE W. R. GRACE & CO. (US) 1978-03-21 US disclosed