SCHEMBL6658859

SCHEMBL6658859

C=CCCC(C(=O)OCC)C1(C)OCCO1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.32
NPSR1 Q6W5P4 2/20 0.32
PLA2G2C Q5R387 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL3335051 0.79 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTHPGDCYP3A4
SCHEMBL10908630 0.78 CPB2 (0.41) ALDH1A1NPSR1MAPTHPGDCYP3A4
SCHEMBL5998326 0.76 ALDH1A1 (0.35) ALDH1A1NPSR1MAPTHPGDCYP3A4
SCHEMBL20476800 0.75 ALDH1A1 (0.32) ALDH1A1NPSR1MAPTHPGDCYP3A4
SCHEMBL9560790 0.72 TSHR (0.31)
SCHEMBL6661127 0.72 MAPT (0.36) ALDH1A1NPSR1MAPTHPGDSMN1; SMN2
SCHEMBL5998821 0.72 TDP1 (0.32) MAPT
SCHEMBL6664974 0.71 L3MBTL1 (0.39) ALDH1A1NPSR1PLA2G2CMAPTHPGD
SCHEMBL3384488 0.71 CYP3A4 (0.38) ALDH1A1NPSR1MAPTHPGDCYP3A4
SCHEMBL2203256 0.70 L3MBTL1 (0.43) ALDH1A1NPSR1MAPTHPGDUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084165-B1 WATER SOLUBLE NEGATIVE-WORKING PHOTORESIST COMPOSITION CLARIANT FINANCE BVI LTD (VG) 2004-08-04 EP disclosed
EP-1084165-A1 WATER SOLUBLE NEGATIVE-WORKING PHOTORESIST COMPOSITION CLARIANT INTERNATIONAL LTD. (CH) 2001-03-21 EP disclosed
US-5998092-A Water soluble negative-working photoresist composition CLARIANT INTERNATIONAL, LTD. (CH) 1999-12-07 US disclosed
WO-1999061497-A1 WATER SOLUBLE NEGATIVE-WORKING PHOTORESIST COMPOSITION CLARIANT INTERNATIONAL, LTD. (CH) 1999-12-02 WO disclosed