SCHEMBL11285683

SCHEMBL11285683

C=C(C#N)C(=O)OCCCCOCCOCC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
ALDH1A1 P00352 4/20 0.61
THRB P10828 1/20 0.50
EPHX2 P34913 5/20 0.34
ZDHHC20 Q5W0Z9 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
DNM1 Q05193 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL7545698 0.97 ALDH1A1 (0.65) TSHRALDH1A1THRBZDHHC20CYP4F2
SCHEMBL21932802 0.95 TSHR (0.62) TSHRALDH1A1THRBZDHHC20CYP4F2
SCHEMBL4888155 0.93 ALDH1A1 (0.65) TSHRALDH1A1THRBCYP2C9KMT2A
SCHEMBL11279786 0.92 TSHR (0.67) TSHRALDH1A1THRBEPHX2CYP2C9
SCHEMBL28722802 0.92 TSHR (0.67) TSHRALDH1A1THRBEPHX2CYP2C9
SCHEMBL450203 0.90 TSHR (0.69) TSHRALDH1A1THRBEPHX2CYP2C9
SCHEMBL4892534 0.89 TSHR (0.58) TSHRALDH1A1THRBZDHHC20KMT2A
SCHEMBL11266934 0.87 TSHR (0.56) TSHRALDH1A1THRBEPHX2ZDHHC20
SCHEMBL16174654 0.86 TSHR (0.54) TSHRALDH1A1THRBEPHX2ZDHHC20
SCHEMBL21932828 0.86 TSHR (0.54) TSHRALDH1A1THRBEPHX2ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4364876-A QUICK-SETTING ADHESIVES, COATINGS, MOLDING MATERIALS TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1982-12-21 US disclosed