SCHEMBL9316633

SCHEMBL9316633

C=C(C)C(=O)NC(O)C(=O)OCCCC.CCCCOCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HPGD P15428 1/20 0.38
PLA2G2C Q5R387 4/20 0.36
ATM Q13315 1/20 0.36
TGFBR1 P36897 1/20 0.36
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CES2 O00748 1/20 0.34
EPHX1 P07099 1/20 0.33
THRB P10828 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
SCHEMBL10622027 0.95 TSHR (0.46) TSHRALDH1A1MAPTHPGDATM
SCHEMBL7889404 0.79 TSHR (0.49) TSHRALDH1A1MAPTHSD17B10HPGD
SCHEMBL9316631 0.77 TSHR (0.44) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL27567837 0.77 TSHR (0.44) TSHRALDH1A1HPGDPLA2G2CATM
SCHEMBL27019 0.75 TSHR (0.43) TSHRALDH1A1MAPTHSD17B10HPGD
SCHEMBL28509952 0.75 TSHR (0.43) TSHRALDH1A1MAPTHSD17B10HPGD
SCHEMBL10626213 0.75 MAPT (0.43) TSHRALDH1A1MAPTHSD17B10HPGD
SCHEMBL1132239 0.74 TSHR (0.40) TSHRALDH1A1HPGDPLA2G2CATM
SCHEMBL554259 0.74 ACHE (0.44) TSHRALDH1A1MAPTHSD17B10CES2
SCHEMBL13879267 0.73 TGFBR1 (0.44) TSHRPLA2G2CTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5369204-A Low molecular weight acrylamidoglycolate crosslinker and process CYTEC TECHNOLOGY CORP. (US) 1994-11-29 US disclosed
US-4760168-A Preparation of alkyl acrylamidoglycolates and their alkyl ethers AMERICAN CYANAMID COMPANY (US) 1988-07-26 US disclosed