SCHEMBL7572877

SCHEMBL7572877

CC(C)CCOC(=O)CCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
CA1 P00915 3/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 2/20 0.38
DGKA P23743 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37

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
SCHEMBL333015 0.89 ADRA2A (0.50) CYP19A1CA1CA12CA2CA9
SCHEMBL2536560 0.88 DGKA (0.44) CYP19A1CA1CA12CA2CA9
SCHEMBL4292777 0.86 CYP19A1 (0.49) CYP19A1CA1CA12CA2CA9
SCHEMBL14672499 0.84 DGKA (0.48) CYP19A1CA1CA12CA2CA9
SCHEMBL249563 0.84 DGKA (0.54) CYP19A1CA1CA12CA2CA9
SCHEMBL27722670 0.84 NAAA (0.41) ADRA2AADRA1AMAPTDGKA
SCHEMBL20089470 0.84 DGKA (0.50) CYP19A1MAPTALDH1A1DGKAKDM4E
SCHEMBL2267201 0.84 CYP19A1 (0.50) CYP19A1CA1CA12CA2CA9
SCHEMBL4160276 0.83 DGKA (0.47) CYP19A1CA1CA12CA2CA9
SCHEMBL494383 0.83 DGKA (0.57) CYP19A1CA1CA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1238770-C Resist remover composition DONGJIN SEMICHEM CO LTD (KR) 2006-01-25 CN claimed
CN-1507582-A Resist remover composition ����ɪ��٩��ʽ���� 2004-06-23 CN claimed
CN-101575363-B The synthetic method of Aplidine and new antitumoral derivatives and preparation and application thereof PHARMA MAR, S. A. (ES) 2016-01-27 CN disclosed
CN-104650177-A Synthetic Methods For Aplidine And New Antitumoral Derivatives, Methods Of Making And Using Them PHARMA MAR SA 2015-05-27 CN disclosed
CN-101575363-A Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR SA (ES) 2009-11-11 CN disclosed
CN-1238770-C Resist remover composition DONGJIN SEMICHEM CO LTD (KR) 2006-01-25 CN disclosed
CN-1507582-A Resist remover composition ����ɪ��٩��ʽ���� 2004-06-23 CN disclosed
CN-1449408-A Synthetic methods for Aplidine and novel antitumor derivatives, and methods of making and using the same PHARMA MAR SA (ES) 2003-10-15 CN disclosed
WO-2002095500-A1 RESIST REMOVER COMPOSITION DONGJIN SEMICHEM CO., LTD. (KR) 2002-11-28 WO disclosed