SCHEMBL14706353

SCHEMBL14706353

CCCCCCCCCCCCOc1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)OC4=O)cc(OCCCCCCCCCCCC)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PDE4B Q07343 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL14706336 0.91 PPARG (0.36) MAPTTP53PPARGPPARDPPARA
SCHEMBL14706338 0.78 GAA (0.38) MAPTPPARGPPARDPPARARAB9A
SCHEMBL15965787 0.78 ALDH1A1 (0.38) MAPTTP53PPARGPPARDPPARA
SCHEMBL17518045 0.74 CDC25A (0.43) MAPTMEN1NR1I2LMNACHRM2
SCHEMBL20735126 0.73 ALDH1A1 (0.50) PDE4BMEN1KMT2AALDH1A1PTPN11
SCHEMBL14706337 0.73 THRA (0.35) MAPTPPARGPPARDPPARATDP1
SCHEMBL12869345 0.72 THRB (0.34) MAPTTP53PPARGPPARDPPARA
SCHEMBL14827380 0.72 MAPT (0.35) MAPTTP53PPARGPPARDPPARA
SCHEMBL14827382 0.72 MAPT (0.35) MAPTTP53PPARGPPARDPPARA
SCHEMBL15077489 0.71 S1PR5 (0.32) MAPTTP53PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378336-B2 Liquid crystalline organic semiconductor material and organic electron device FUJIFILM CORPORATION (JP) 2013-02-19 — — US disclosed
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