SCHEMBL19409859

SCHEMBL19409859

C=C(Cl)C(=O)OCc1ccc(C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL3536281 0.83 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AHSP90AA1POLB
SCHEMBL19409864 0.80 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AHSP90AA1POLB
SCHEMBL27417592 0.79 KDM4E (0.44) POLBAPEX1TDP1MAPTLMNA
SCHEMBL28849771 0.78 CYP3A4 (0.35) ALDH1A1NPC1RAB9AHSP90AA1POLB
SCHEMBL13034135 0.78 CYP3A4 (0.56) ALDH1A1NPC1RAB9AHSP90AA1POLB
SCHEMBL29520036 0.76 NPC1 (0.41) NPC1RAB9AHSP90AA1POLBESR1
SCHEMBL5431943 0.76 NPC1 (0.41) NPC1RAB9AHSP90AA1POLBESR1
SCHEMBL19700929 0.75 THRB (0.41) ALDH1A1NPC1RAB9AHSP90AA1TP53
SCHEMBL24270333 0.75 L3MBTL1 (0.50) ALDH1A1NPC1RAB9AHSP90AA1POLB
SCHEMBL28844298 0.75 ALDH1A1 (0.43) ALDH1A1NPC1RAB9AHSP90AA1POLB

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
US-20170285482-A1 ORGANIC PROCESSING LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2017-10-05 — — US disclosed
CN-107111253-A Organic processing liquid and pattern forming method 富士胶片株式会社 2017-08-29 — — CN disclosed
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