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SCHEMBL25751305

SCHEMBL25751305

CCC(C)(C)c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(N5C(=O)C6C7CCC(C6C5=O)C5C(=O)N(C(C)(C)CC)C(=O)C75)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HRH3 Q9Y5N1 9/20 0.32
▸ MAOB P27338 3/20 0.32
▸ MCHR1 Q99705 4/20 0.32
▸ CACNA1B Q00975 1/20 0.31
▸ APBA1 Q02410 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL25751300 0.85 MAPT (0.30) NPC1RAB9AMAPTMCHR1
SCHEMBL25751324 0.79 KMT2A (0.33) MAPTPOLBKMT2A
SCHEMBL25751079 0.78 LMNA (0.40) MAPTMCHR1CACNA1BAPBA1KMT2A
SCHEMBL14545828 0.77 PKM (0.40) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL24283915 0.71 PKM (0.40) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL13351649 0.69 RAB9A (0.36) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL25751314 0.69 LMNA (0.32) MAPT
SCHEMBL21662313 0.68 KMT2A (0.34) NPC1RAB9AMAPTMCHR1KMT2A
SCHEMBL25865571 0.68 ALDH1A1 (0.41) NPC1RAB9AMAPTPOLBCYP2C9
SCHEMBL14494737 0.66 KMT2A (0.37) NPC1RAB9AMAPTPOLBKMT2A

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
US-20230205031-A1 ELECTROCHROMIC COMPOSITION, ELECTROCHROMIC LAYER AND ELECTROCHROMIC DEVICE INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2023-06-29 — — US disclosed