SCHEMBL20053881

SCHEMBL20053881

COc1ccc(CCc2ccc(C#N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.65
MAOA P21397 1/20 0.65
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
TAAR1 Q96RJ0 1/20 0.53
CYP2A6 P11509 1/20 0.52
AOC3 Q16853 2/20 0.52
CYP19A1 P11511 1/20 0.51
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50

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
SCHEMBL10568774 0.92 MAOA (0.61) MAOBMAOAPOLBMAPTTAAR1
SCHEMBL10567002 0.91 TSHR (0.60) MAOBMAOAPOLBMAPTTAAR1
SCHEMBL5784919 0.89 MAOB (0.58) MAOBMAOAPOLBMAPTTAAR1
SCHEMBL7316077 0.88 MAOB (0.65) MAOBMAOAPOLBMAPTCYP2A6
SCHEMBL103904 0.87 MAOB (0.61) MAOBMAOAPOLBMAPTCYP2A6
SCHEMBL30757515 0.87 MAOB (0.61) MAOBMAOAPOLBMAPTCYP2A6
1,4-Dimethoxybenzene SCHEMBL28617696 0.87 MAOB (0.61) MAOBMAOAPOLBMAPTCYP2A6
SCHEMBL30250275 0.85 MAOA (0.59) MAOBMAOAPOLBCYP2A6CYP19A1
SCHEMBL2276512 0.85 MAOB (0.68) MAOBMAOAPOLBCYP19A1
SCHEMBL1004267 0.82 LOXL2 (0.64) MAOBMAOACYP2A6CYP19A1LOXL2

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
EP-3309145-A1 MARINE PERIPHYTON REPELLENT COMPOSITION Basseru Chemical Co., Ltd. (JP) 2018-04-18 EP disclosed