SCHEMBL30817355

SCHEMBL30817355

OCCCc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.56
▸ EPHX2 P34913 1/20 0.56
▸ TRPV3 Q8NET8 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ SQOR Q9Y6N5 1/20 0.40
▸ CNR1 P21554 3/20 0.38
▸ PKM P14618 1/20 0.37
▸ PDE5A O76074 1/20 0.37
▸ GSTP1 P09211 1/20 0.37
▸ CYP4F2 P78329 1/20 0.37
▸ CYP4A11 Q02928 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ BCHE P06276 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
SCHEMBL30151511 0.92 CYP4F2 (0.44) LTA4HEPHX2TRPV3GRM5SQOR
SCHEMBL24206861 0.92 CYP4F2 (0.44) LTA4HEPHX2TRPV3GRM5SQOR
SCHEMBL26641259 0.87 GRM5 (0.43) TRPV3GRM5SQORCNR1PKM
SCHEMBL24207230 0.85 LMNA (0.47) TRPV3GRM5SQORCNR1PKM
SCHEMBL30733640 0.85 GRM5 (0.40) LTA4HEPHX2GRM5SQORCNR1
SCHEMBL24847986 0.83 GSTP1 (0.47) LTA4HEPHX2GRM5SQORGSTP1
SCHEMBL30179980 0.83 GSTP1 (0.47) LTA4HEPHX2GRM5SQORGSTP1
SCHEMBL23816219 0.82 TRPV3 (0.39) TRPV3GRM5SQORCNR1PKM
SCHEMBL30064435 0.82 TRPV3 (0.39) TRPV3GRM5SQORCNR1PKM
SCHEMBL24206631 0.81 MAPT (0.49) GRM5SQORCNR1PKMPDE5A

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-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 — — WO disclosed
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