SCHEMBL2033747

SCHEMBL2033747

CC(C)CCC(C)(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
CA1 P00915 2/20 0.37
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
PTPN2 P17706 1/20 0.33

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
SCHEMBL7049220 0.83 BLM (0.55) TET2TSHRALDH1A1ACACBACACA
SCHEMBL1785650 0.83 L3MBTL1 (0.37) TSHRALDH1A1L3MBTL1CA1BLM
SCHEMBL8376516 0.82 ACACB (0.50) TET2TSHRALDH1A1ACACBACACA
SCHEMBL30632580 0.82 TSHR (0.34) TET2TSHRALDH1A1ACACBACACA
SCHEMBL29619451 0.82 TET2 (0.34) TET2ALDH1A1ACACBACACACA1
SCHEMBL5970903 0.81 GABRR1 (0.48) TET2TSHRALDH1A1ACACBACACA
SCHEMBL2748871 0.80 L3MBTL1 (0.38) TSHRALDH1A1L3MBTL1ACACBACACA
SCHEMBL2718566 0.80 ACACB (0.52) TSHRALDH1A1L3MBTL1ACACBACACA
SCHEMBL6054231 0.78 ALDH1A1 (0.56) TET2TSHRALDH1A1ACACBACACA
SCHEMBL7783900 0.77 CA1 (0.39) L3MBTL1ACACBACACACA1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9568821-B2 Patterning process SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-14 US claimed
US-20150234278-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-20 US claimed
US-9568821-B2 Patterning process SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-02-14 US disclosed
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
US-20150234278-A1 PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-08-20 US 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
US-20110220845-A1 SOLVENT COMPOSITION CONTAINING AT LEAST ONE ESTER OF ISOAMYLALCOHOL OLEON (BE) 2011-09-15 US disclosed
EP-2327756-A2 Solvent composition containing at least one ester of isoamylalcohol Oleon (BE) 2011-06-01 EP 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-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