SCHEMBL27345779

SCHEMBL27345779

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CSF1R P07333 1/20 0.43
CISD1 Q9NZ45 1/20 0.43
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
LPL P06858 5/20 0.41

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
SCHEMBL1516719 0.90 EGFR (0.48) EGFRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27345687 0.89 MRGPRX4 (0.52) EGFRNPC1RAB9AALDH1A1LMNA
SCHEMBL27345601 0.89 EGFR (0.48) EGFRHPGDALDH1A1LMNASMN1; SMN2
SCHEMBL15884409 0.88 EGFR (0.52) EGFRNPC1RAB9AHPGDALDH1A1
SCHEMBL17129014 0.86 EGFR (0.47) EGFRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL25179630 0.86 DGAT1 (0.46) EGFRNPC1RAB9ACSF1RHIF1A
SCHEMBL29362049 0.86 DGAT1 (0.46) EGFRNPC1RAB9ACSF1RHIF1A
SCHEMBL31034717 0.85 EGFR (0.46) EGFRNPC1RAB9AALDH1A1LMNA
SCHEMBL31034731 0.85 EGFR (0.48) EGFRNPC1RAB9AMAPTCSF1R
SCHEMBL27345689 0.85 EGFR (0.46) EGFRCSF1RLPLLIPGDGAT1

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-2024133605-A1 SUBSTITUTED 3,7-DIHYDRO-1 H-PURINE-2,6-DIONES AND USE THEREOF INVIOS GMBH (AT) 2024-06-27 WO disclosed