SCHEMBL27951065

SCHEMBL27951065

Oc1ccc(C2(c3ccc(OCCc4ccccc4)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ DRD4 P21917 2/20 0.46
▸ MAOA P21397 3/20 0.43
▸ MAOB P27338 3/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA7 P43166 1/20 0.43

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
SCHEMBL16902905 0.89 LMNA (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL27878248 0.88 CA12 (0.48) NPC1RAB9AFFAR1MAOAMAOB
SCHEMBL16902903 0.87 DRD4 (0.46) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16902904 0.87 NR5A1 (0.47) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL17465611 0.86 LMNA (0.62) RAB9ALMNACYP1A2PTGS1SLC6A2
SCHEMBL16902908 0.86 NR5A1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16902912 0.86 NR5A1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16902914 0.86 NR5A1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16902910 0.86 NR5A1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16902909 0.86 NR5A1 (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19

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
CN-102727470-B Application of fluorene-9-bisphenol and its derivative in preparation of medicine for preventing and treating cancer UNIV BEIJING 2014-02-19 — — CN disclosed
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