SCHEMBL14528664

SCHEMBL14528664

O=C(c1ccc(N2CCCCCC2)cc1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.65
ALDH1A1 P00352 7/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPT P10636 1/20 0.63
HTT P42858 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
PHGDH O43175 1/20 0.63
L3MBTL1 Q9Y468 4/20 0.57
L3MBTL3 Q96JM7 2/20 0.57
MBTD1 Q05BQ5 1/20 0.57
TP53BP1 Q12888 1/20 0.57
L3MBTL4 Q8NA19 1/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
POLB P06746 2/20 0.57
AKR1C3 P42330 1/20 0.56
HSD11B1 P28845 1/20 0.56
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
DNMT1 P26358 1/20 0.54

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
SCHEMBL10720943 0.86 PHGDH (0.81) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL5235593 0.85 HPGD (0.56) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL14529143 0.84 L3MBTL3 (0.84) ALDH1A1KDM4EL3MBTL1L3MBTL3MBTD1
SCHEMBL1359639 0.84 HPGD (0.63) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL14528665 0.84 L3MBTL3 (0.78) ALDH1A1KDM4EL3MBTL1L3MBTL3MBTD1
SCHEMBL14982133 0.83 GSK3B (0.58) HPGDALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL28900568 0.82 HPGD (0.59) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL28296651 0.80 HPGD (0.86) HPGDALDH1A1KDM4EMAPTHTT
SCHEMBL30635500 0.79 HPGD (0.90) HPGDALDH1A1KDM4ESMN1; SMN2PHGDH
SCHEMBL1360270 0.79 HPGD (0.92) HPGDALDH1A1KDM4EMAPTHTT

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
WO-2007053495-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed