SCHEMBL7324645

SCHEMBL7324645

CCOC(=O)c1ccc(N2CCC(OCc3ccccc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 8/20 0.56
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 3/20 0.46
POLB P06746 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
METAP1 P53582 1/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
GLS O94925 1/20 0.44

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
SCHEMBL14741174 0.93 BCHE (0.52) BCHEALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL18987003 0.86 BCHE (0.47) BCHEALDH1A1SMN1; SMN2MAPTGAA
SCHEMBL13328300 0.85 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2MAPTTDP1
SCHEMBL7323856 0.83 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2MAPTPOLB
SCHEMBL458122 0.82 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL6134525 0.81 HPGD (0.47) ALDH1A1TSHRSMN1; SMN2MAPTPOLB
SCHEMBL6135447 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPTPOLBGAA
SCHEMBL3962996 0.81 SMN1; SMN2 (0.56) BCHEALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL6134511 0.80 ALDH1A1 (0.47) ALDH1A1TSHRSMN1; SMN2MAPTPOLB
SCHEMBL6132664 0.80 ALDH1A1 (0.56) ALDH1A1TSHRMAPTMETAP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed