SCHEMBL9316631

SCHEMBL9316631

C=C(C)C(=O)NC(OCCCC)C(=O)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 2/20 0.39
ATM Q13315 1/20 0.37
TGFBR1 P36897 1/20 0.37
RECQL P46063 1/20 0.36
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
EPHX1 P07099 1/20 0.34
ESR1 P03372 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34
ACHE P22303 6/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4D Q08499 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 0.81 TSHR (0.46) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL7889401 0.79 TSHR (0.51) TSHRALDH1A1HPGDATMLMNA
SCHEMBL9321557 0.79 TSHR (0.40) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL1132239 0.79 TSHR (0.40) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL27567837 0.78 TSHR (0.44) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL18660317 0.78 TSHR (0.41) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL9316633 0.77 TSHR (0.42) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL7171607 0.76 TSHR (0.38) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL7172656 0.76 TSHR (0.38) TSHRALDH1A1HPGDATMTGFBR1
SCHEMBL2528974 0.76 TSHR (0.38) TSHRALDH1A1HPGDATMTGFBR1

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