SCHEMBL27345600

SCHEMBL27345600

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.45
SLC6A4 P31645 1/20 0.41
DGAT1 O75907 1/20 0.40
CSF1R P07333 3/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
HIF1A Q16665 1/20 0.39
PDGFRB P09619 1/20 0.38
KIT P10721 1/20 0.38
PPARG P37231 1/20 0.37
MCHR1 Q99705 2/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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 0.88 EGFR (0.48) EGFRDGAT1CSF1RNTRK1NTRK2
SCHEMBL27345689 0.86 EGFR (0.46) EGFRSLC6A4DGAT1CSF1RNTRK1
SCHEMBL27345601 0.85 EGFR (0.48) EGFRDGAT1CSF1RLPLLIPG
SCHEMBL25179630 0.85 DGAT1 (0.46) EGFRDGAT1CSF1RNTRK1NTRK2
SCHEMBL29362049 0.85 DGAT1 (0.46) EGFRDGAT1CSF1RNTRK1NTRK2
SCHEMBL27345685 0.84 CSF1R (0.46) EGFRDGAT1CSF1RNTRK1NTRK2
SCHEMBL27345776 0.84 HIF1A (0.39) EGFRSLC6A4DGAT1CSF1RHIF1A
SCHEMBL27345779 0.83 EGFR (0.48) EGFRDGAT1CSF1RHIF1ALPL
SCHEMBL17129080 0.83 DGAT1 (0.52) DGAT1HIF1ALPLLIPGMRGPRX4
SCHEMBL31065363 0.83 DGAT1 (0.47) EGFRSLC6A4DGAT1LPLLIPG

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