SCHEMBL10546366

SCHEMBL10546366

[CH2]c1cccc(Oc2ccc(C)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.47
HTT P42858 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
ATM Q13315 1/20 0.47
MAP4K4 O95819 1/20 0.45
F2 P00734 2/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TEAD4 Q15561 1/20 0.39

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
SCHEMBL10546030 0.85 MEN1 (0.48) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL4359477 0.82 F2 (0.46) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL9771157 0.81 HTT (0.47) MEN1KMT2AHTTF2F10
SCHEMBL10547550 0.81 F2 (0.42) ALDH1A1HPGDMAP4K4F2F10
SCHEMBL9771220 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1HTTATM
SCHEMBL10546373 0.81 MEN1 (0.55) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL10544866 0.81 LTA4H (0.50) ALDH1A1NPC1RAB9AHPGDF2
SCHEMBL21330627 0.78 MEN1 (0.52) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL4371488 0.78 MAP4K4 (0.53) MEN1KMT2AALDH1A1NPC1HTT
SCHEMBL10546772 0.75 ALDH1A1 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A

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
US-4814340-A 1,4-diaryl alkane derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1989-03-21 US disclosed
US-4661501-A Certain aryl-alkane-2-pyridyloxy-phenyl derivatives having insecticidal and acaricidal activity MITSUI TOATSU CHEMICALS, INC. (JP) 1987-04-28 US disclosed