SCHEMBL23396265

SCHEMBL23396265

C=CC(=O)c1cc(O[C@H]2CCC(=C)C2)cc(C(=C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
EPHX2 P34913 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
EGFR P00533 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
JAK1 P23458 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23396295 0.81 IKBKB (0.41) POLBMEN1KMT2A
SCHEMBL23396103 0.66 GRM5 (0.38) SMN1; SMN2
SCHEMBL23396270 0.64 KMT2A (0.32) KMT2A
SCHEMBL8464240 0.63 CYP3A4 (0.36) MEN1CYP3A4KMT2ATDP1
SCHEMBL6347273 0.61 ABCG2 (0.58) KDM4EMEN1ALDH1A1EGFRTP53
SCHEMBL15458149 0.61 ALDH5A1 (0.61) POLBKDM4EMEN1ALDH1A1EGFR
SCHEMBL56283 0.57 CA5A (0.30)
SCHEMBL9812572 0.57 ALDH5A1 (0.60) KDM4EMEN1ALDH1A1EGFRTP53
SCHEMBL14495743 0.56 CA5A (0.52) MAPTPKMHPGDKMT2ASMN1; SMN2
SCHEMBL21712104 0.56 EPHX2 (0.58) POLBEPHX2KDM4EMEN1ALDH1A1

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