SCHEMBL10549385

SCHEMBL10549385

COc1ccc(Oc2cc(CC#N)ccc2F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
GAA P10253 3/20 0.42
POLB P06746 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
PGGT1B P53609 1/20 0.42
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL10547581 0.88 AR (0.41) ALDH1A1AR
SCHEMBL10549006 0.88 SLC6A4 (0.38) GAAARMAPTL3MBTL1
SCHEMBL10544782 0.87 FNTA (0.45) POLBFNTAFNTBPGGT1BLPAR1
SCHEMBL10545055 0.87 HTR2A (0.43) FNTAFNTBPGGT1BALDH1A1AR
SCHEMBL10547267 0.86 CACNA1C (0.43) GAAALDH1A1CACNA1GCACNA1BAR
SCHEMBL10549585 0.85 MAOA (0.38) GAAPOLBFNTAFNTBPGGT1B
SCHEMBL11036206 0.85 SRD5A2 (0.41) FNTAFNTBPGGT1BLPAR1LPAR5
SCHEMBL10549544 0.85 PYCR1 (0.41) GAAPOLBFNTAFNTBPGGT1B
SCHEMBL2362687 0.85 TTR (0.41) FNTAFNTBPGGT1BTTR
SCHEMBL622290 0.84 CA2 (0.41) ALDH1A1TAAR1KDM4E

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