SCHEMBL27360180

SCHEMBL27360180

C=C(C)C(=O)OCCNC(=O)CN

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 3/20 0.38
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CA1 P00915 2/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
FAAH O00519 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
SCHEMBL2531723 0.87 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14345594 0.87 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL13815587 0.86 THRB (0.36) THRBTSHRPOLBAPEX1HTT
SCHEMBL22657385 0.85 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16309307 0.85 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9795107 0.85 CA2 (0.40) TSHRALDH1A1TDP1CA2MEN1
SCHEMBL15237111 0.84 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL4917590 0.84 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11964784 0.84 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8430137 0.84 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1

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
WO-2024116106-A1 OPHTHALMIC LENS MATERIALS AND DEVICES MADE THEREOF Johnson & Johnson Surgical Vision, Inc. (US) 2024-06-06 WO disclosed