SCHEMBL23396103

SCHEMBL23396103

C=C(C)c1cc(OC2COC2)cc(C(C)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
P2RX3 P56373 14/20 0.37
P2RX2 Q9UBL9 14/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL12594040 0.89 GRM5 (0.41) GRM5P2RX3P2RX2LMNASMN1; SMN2
SCHEMBL1107566 0.79 ALDH1A1 (0.45) GRM5P2RX3P2RX2ACACB
SCHEMBL31130428 0.77 KMT2A (0.48) SMN1; SMN2
SCHEMBL14495743 0.74 CA5A (0.52) LMNASMN1; SMN2
SCHEMBL1107609 0.74 ALDH1A1 (0.42) GRM5P2RX3P2RX2LMNA
SCHEMBL12742709 0.72 GCK (0.55)
SCHEMBL30055794 0.69 CNR2 (0.44) GRM5P2RX3P2RX2LMNA
SCHEMBL17321002 0.68 KAT6A (0.48) LMNASMN1; SMN2
SCHEMBL2668774 0.68 GCK (0.47) P2RX3P2RX2ACACB
SCHEMBL23396295 0.67 IKBKB (0.41) P2RX3P2RX2

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
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed