SCHEMBL5750798

SCHEMBL5750798

C[CH]N(C(=O)Nc1ccccc1)C1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.64
▸ MAPT P10636 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTR1E P28566 1/20 0.46
▸ S1PR3 Q99500 1/20 0.46
▸ RAB9A P51151 5/20 0.45
▸ EPHX2 P34913 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ ABCC1 P33527 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL11599130 0.78 ATM (1.00) ATMMAPTALDH1A1HPGDTP53
SCHEMBL7613507 0.78 ATM (0.67) ATMMAPTALDH1A1HPGDTP53
SCHEMBL10595718 0.78 ATM (0.71) ATMMAPTALDH1A1HPGDTP53
SCHEMBL7614096 0.76 ATM (0.69) ATMMAPTALDH1A1HPGDTP53
SCHEMBL7620949 0.76 ATM (0.69) ATMMAPTALDH1A1HPGDTP53
SCHEMBL28798411 0.75 ATM (0.68) ATMMAPTALDH1A1HPGDTP53
SCHEMBL9547525 0.74 ATM (0.66) ATMMAPTALDH1A1HPGDTP53
SCHEMBL3482704 0.73 ALDH1A1 (0.62) ATMMAPTALDH1A1HPGDTP53
SCHEMBL4321548 0.72 ATM (0.63) ATMMAPTALDH1A1HPGDTP53
SCHEMBL28728490 0.72 ATM (0.62) ATMMAPTALDH1A1HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 — — EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 — — EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 — — WO disclosed
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