SCHEMBL7794964

SCHEMBL7794964

CCCCCCC(F)COc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)cc3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.40
▸ SMPD1 P17405 1/20 0.37
▸ NPC1 O15118 8/20 0.36
▸ RAB9A P51151 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 4/20 0.35
▸ NFKB1 P19838 3/20 0.35
▸ NFKB2 Q00653 3/20 0.35
▸ RELA Q04206 3/20 0.35
▸ PLA2G4B P0C869 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL7785429 0.92 RARB (0.44) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7791071 0.91 RARB (0.45) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7795424 0.90 RARB (0.39) RARBSMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL7093920 0.88 RARB (0.50) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7091899 0.88 RARB (0.50) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10427334 0.85 RARB (0.52) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10427335 0.85 RARB (0.52) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10427086 0.85 RARB (0.52) RARBNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7791058 0.85 FAAH (0.37) RARBSMPD1NPC1RAB9ASMN1; SMN2
SCHEMBL7093872 0.85 RARB (0.47) RARBRAB9ASMN1; SMN2KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821050-B1 Optically active compound and antiferroelectric liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-11-28 — — EP disclosed
US-5820782-A LOW THRESHOLD VOLTAGE AND LOW VISCOSITY; PYRIMIDINE-BASED COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-10-13 — — US disclosed
EP-0821050-A1 Optically active compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1998-01-28 — — EP disclosed
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