SCHEMBL7325952

SCHEMBL7325952

CCOC(=O)c1ccc(N2CCC(OC3C=CCCC3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 9/20 0.42
MAPT P10636 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSP90AA1 P07900 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FDFT1 P37268 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 2/20 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
SCHEMBL7313812 0.85 ALDH1A1 (0.50) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL6132455 0.84 ALDH1A1 (0.49) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL28242074 0.78 HPGD (0.61) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL20187714 0.77 HPGD (0.59) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL6539173 0.76 SCN1A (0.55) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL3457437 0.76 HPGD (0.55) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL378276 0.76 TDP1 (0.60) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL7323856 0.76 ALDH1A1 (0.50) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL3898465 0.75 HPGD (0.61) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL22015905 0.75 HPGD (0.65) HPGDHTTMEN1KMT2AALDH1A1

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
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