SCHEMBL22299394

SCHEMBL22299394

CCCCC(CC)COc1ccc(-c2ccc(-c3c(F)c(F)c(-c4ccc(-c5ccc(OCCC)cc5)s4)c4nsnc34)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ CYP1A2 P05177 7/20 0.37
▸ CYP2D6 P10635 6/20 0.37
▸ CYP3A4 P08684 4/20 0.37
▸ PTPN1 P18031 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP2C19 P33261 6/20 0.33
▸ CYP19A1 P11511 5/20 0.33
▸ CYP2C9 P11712 5/20 0.33
▸ XIAP P98170 1/20 0.32
▸ HPGD P15428 4/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSD17B10 Q99714 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
SCHEMBL16265316 0.96 CYP3A4 (0.35) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL17835291 0.88 APP (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL16265318 0.86 SMN1; SMN2 (0.31) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL16265238 0.83 CYP3A4 (0.36) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL19119557 0.82 RARA (0.35) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL17694318 0.81 CYP3A4 (0.33) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL2566987 0.81 CYP3A4 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL21201819 0.80 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1LMNA
SCHEMBL21201818 0.80 — —
SCHEMBL20806200 0.79 NR1H4 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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
WO-2020158211-A1 LIQUID CRYSTAL COMPOSITE BODY, LIQUID CRYSTAL LIGHT CONTROL ELEMENT AND LIGHT CONTROL WINDOW JNC株式会社 2020-08-06 — — WO disclosed
WO-2020158038-A1 LIQUID CRYSTAL COMPOSITE AND LIQUID CRYSTAL DIMMER ELEMENT JNC株式会社 2020-08-06 — — WO disclosed
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