SCHEMBL7785434

SCHEMBL7785434

CCCCCC[C@@H](OC(=O)c1ccc(-c2cnc(-c3ccc(O)cc3)nc2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RARB P10826 4/20 0.41
▸ PNLIP P16233 1/20 0.41
▸ ESR1 P03372 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ RNASEL Q05823 1/20 0.39
▸ HSD17B3 P37058 6/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 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
SCHEMBL9462142 0.91 PNLIP (0.47) RARBPNLIPESR1SMN1; SMN2TSHR
SCHEMBL8607925 0.91 PNLIP (0.47) RARBPNLIPESR1SMN1; SMN2TSHR
SCHEMBL9226651 0.91 PNLIP (0.47) RARBPNLIPESR1SMN1; SMN2TSHR
SCHEMBL9187001 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2
SCHEMBL9191392 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2
SCHEMBL9187241 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2
SCHEMBL9193907 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2
SCHEMBL9192412 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2
SCHEMBL9191943 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2
SCHEMBL9187819 0.90 RARB (0.50) RAB9ANPC1KMT2ARARBSMN1; SMN2

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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