SCHEMBL8906649

SCHEMBL8906649

C=C(C)C(=O)OCCOC(=O)CCCCC(S)CCS

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 4/20 0.40
DGKA P23743 1/20 0.39
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
DNM1 Q05193 1/20 0.34
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
PLA2G2A P14555 2/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 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
SCHEMBL29191364 0.95 TSHR (0.48) THRBTSHRDGKATDP1POLB
SCHEMBL27756449 0.95 TSHR (0.48) THRBTSHRDGKATDP1POLB
SCHEMBL28538863 0.95 TSHR (0.48) THRBTSHRDGKATDP1POLB
SCHEMBL16374096 0.82 DGKA (0.43) TSHRDGKATDP1DNM1ALDH1A1
SCHEMBL19717992 0.82 TSHR (0.36) THRBTSHRHTTDNM1ALDH1A1
SCHEMBL1696757 0.82 THRB (0.57) THRBTSHRDGKATDP1POLB
SCHEMBL16312502 0.81 DGKA (0.43) TSHRDGKATDP1DNM1ALDH1A1
SCHEMBL16480294 0.80 DGKA (0.45) THRBTSHRDGKATDP1DNM1
SCHEMBL275245 0.80 DGKA (0.59) THRBTSHRDGKATDP1POLB
SCHEMBL8095315 0.80 DGKA (0.51) TSHRDGKATDP1DNM1ALDH1A1

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
JP-7258248-A None JP disclosed
US-5670657-A DISULFIDE CYCLIC COMPOUND FOR PRECIOUS METAL ADHESIVES KABUSHIKI KAISHA SHOFU (JP) 1997-09-23 US disclosed
JP-H07258248-A (METH)ACRYLATE ESTER DERIVATIVE SHIYOUFUU:KK 1995-10-09 JP disclosed