SCHEMBL9232257

SCHEMBL9232257

CC(C)(C)C(=O)OCn1ncc(OCc2ccc(C(C)(C)C)cc2)c(Cl)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.43
▸ NPC1 O15118 8/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ HTT P42858 5/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GALR3 O60755 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ GPR183 P32249 1/20 0.42
▸ GPR35 Q9HC97 1/20 0.42
▸ RXRA P19793 2/20 0.41
▸ RXRB P28702 2/20 0.41
▸ RXRG P48443 1/20 0.41
▸ NPSR1 Q6W5P4 4/20 0.40
▸ S1PR2 O95136 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ HSP90AA1 P07900 2/20 0.40
▸ HPGD P15428 2/20 0.40

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
SCHEMBL9237268 0.85 RAB9A (0.44) RAB9ANPC1ALDH1A1HTTMEN1
SCHEMBL9235308 0.82 NPC1 (0.65) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL9239763 0.81 RAB9A (0.43) RAB9ANPC1ALDH1A1HTTMEN1
SCHEMBL9238789 0.81 RAB9A (0.40) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL9236956 0.81 KMT2A (0.42) RAB9ANPC1ALDH1A1HTTMEN1
SCHEMBL9236870 0.81 MAPK14 (0.48) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL9232300 0.80 RAB9A (0.63) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL9235020 0.79 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL9237515 0.77 PREP (0.43) RAB9ANPC1MEN1KMT2AGALR3
SCHEMBL9239759 0.76 RAB9A (0.44) RAB9ANPC1ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674238-A2 Carrier for electrophotography having a double metaloxide coating BASF AKTIENGESELLSCHAFT (DE) 1995-09-27 — — EP disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 — — EP disclosed
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