SCHEMBL23924764

SCHEMBL23924764

COc1cc(Br)ccc1OC(C)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.63
TSHR P16473 3/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL7826588 0.83 SMN1; SMN2 (0.58) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL21057246 0.83 SMN1; SMN2 (0.58) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL11297323 0.83 KMT2A (0.49) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL31426193 0.82 TSHR (0.50) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL233034 0.82 TDP1 (0.56) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL23368020 0.82 TSHR (0.67) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL18330954 0.82 TSHR (0.67) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL3602820 0.82 TSHR (0.50) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL18331136 0.82 TSHR (0.50) KMT2ATSHRHTR2AHTR2CHTR2B
SCHEMBL5758294 0.82 KMT2A (0.45) KMT2ATSHRHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
WO-2021208963-A1 BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-10-21 WO disclosed