SCHEMBL2017654

SCHEMBL2017654

CN(C)CCNC(=O)c1cc(C(=O)O)ccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP1A2 P05177 1/20 0.50
MCHR1 Q99705 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
USP2 O75604 1/20 0.45
CHEK1 O14757 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
CHEK2 O96017 1/20 0.44
RAD52 P43351 1/20 0.44
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CSNK2A1 P68400 1/20 0.43

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
SCHEMBL2016542 0.92 HPGD (0.53) HTTSMN1; SMN2MCHR1ALDH1A1KDM4E
SCHEMBL772102 0.84 HTT (0.58) HTTSMN1; SMN2CYP1A2MCHR1ALDH1A1
SCHEMBL6269732 0.82 HTT (0.65) HTTSMN1; SMN2CYP1A2MCHR1ALDH1A1
SCHEMBL772833 0.81 KMT2A (0.56) HTTSMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL26210939 0.79 SMN1; SMN2 (0.55) HTTSMN1; SMN2ALDH1A1PKMLMNA
SCHEMBL10440167 0.78 NAAA (0.57) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL3754605 0.78 NAAA (0.57) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL1991981 0.78 HTT (0.55) HTTSMN1; SMN2CYP1A2MCHR1ALDH1A1
SCHEMBL21046542 0.77 HTT (0.66) HTTSMN1; SMN2CYP1A2ALDH1A1KDM4E
SCHEMBL30046741 0.77 ALDH1A1 (0.73) HTTSMN1; SMN2ALDH1A1KDM4EHSD17B10

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
US-20090155718-A1 PHOTORESIST COMPOSITIONS AND METHOD FOR MULTIPLE EXPOSURES WITH MULTIPLE LAYER RESIST SYSTEMS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-18 US claimed
CN-105531337-A Fluorine-containing polysiloxane coating HONEYWELL INT INC 2016-04-27 CN disclosed
WO-2011080016-A2 METHODS OF DIRECTED SELF-ASSEMBLY AND LAYERED STRUCTURES FORMED THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-07-07 WO disclosed
WO-2011073013-A1 METHODS OF DIRECTED SELF-ASSEMBLY WITH 193 - NM IMMERSION LITHOGRAPHY AND LAYERED STRUCTURES FORMED THEREFROM INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-06-23 WO disclosed