SCHEMBL11345574

SCHEMBL11345574

COC(=O)CCOc1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 6/20 0.55
POLB P06746 3/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
ALDH1A1 P00352 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MASP2 O00187 1/20 0.45

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
SCHEMBL11345575 0.86 SMN1; SMN2 (0.64) MAPTTDP1LMNAPOLBCCR6
SCHEMBL1365207 0.79 MAPT (0.71) MAPTTDP1LMNAPOLBCCR6
SCHEMBL6185460 0.79 MAPT (0.52) MAPTTDP1LMNAPOLBCCR6
SCHEMBL10348407 0.79 CACNA1B (0.44) MAPTLMNAMEN1KMT2AHPGD
SCHEMBL8067143 0.78 MAPT (0.57) MAPTTDP1LMNAPOLBCCR6
SCHEMBL9116289 0.77 MAPT (0.56) MAPTTDP1LMNAPOLBCCR6
SCHEMBL10980033 0.76 MAPT (0.61) MAPTTDP1LMNAPOLBCCR6
SCHEMBL4517861 0.75 MAPT (0.55) MAPTTDP1LMNAPOLBCCR6
SCHEMBL31098224 0.75 MAPT (0.62) MAPTTDP1LMNAPOLBCCR6
SCHEMBL8075179 0.75 MAPT (0.62) MAPTTDP1LMNAPOLBCCR6

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-4264769-A BY REACTING A DIHYDROXYBENZENE WITH A HETEROCYCLIC OR PHENYL HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-28 US disclosed