SCHEMBL30244751

SCHEMBL30244751

COC(COCCOCCOCCOCCOCCOCCOCc1ccccc1)OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
HTT P42858 3/20 0.50
TSHR P16473 1/20 0.48
NAAA Q02083 1/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TACR1 P25103 2/20 0.41
RCE1 Q9Y256 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30244782 1.00 KMT2A (0.51) KMT2AHTTTSHRNAAANPC1
SCHEMBL30378490 0.90 L3MBTL1 (0.55) KMT2AHTTTSHRNPC1MAPT
SCHEMBL7643455 0.89 KMT2A (0.61) KMT2AHTTTSHRNPC1MAPT
SCHEMBL30380288 0.86 TSHR (0.48) KMT2AHTTTSHRNAAANPC1
SCHEMBL27172785 0.83 TSHR (0.45) KMT2AHTTTSHRNAAATDP1
SCHEMBL26601450 0.81 TSHR (0.52) KMT2AHTTTSHRNAAANPC1
SCHEMBL19067473 0.81 TSHR (0.44) KMT2AHTTTSHRNAAANPC1
SCHEMBL4608747 0.80 TSHR (0.74) HTTTSHRNAAATDP1L3MBTL1
SCHEMBL9505432 0.80 TSHR (0.74) HTTTSHRNAAATDP1L3MBTL1
SCHEMBL10895400 0.80 TSHR (0.74) HTTTSHRNAAATDP1L3MBTL1

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-2022251588-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2022-12-01 WO disclosed