SCHEMBL771804

SCHEMBL771804

CN(C)CCNC(=O)c1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAD52 P43351 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 1/20 0.50
AOX1 Q06278 1/20 0.49
EGFR P00533 1/20 0.49
SRC P12931 1/20 0.49
SMARCA2 P51531 1/20 0.48
CHEK1 O14757 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR2C P28335 1/20 0.47
POLR1A O95602 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
UHRF1 Q96T88 1/20 0.45

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
SCHEMBL2014524 0.90 HTT (0.52) HTTSMN1; SMN2ALDH1A1KDM4ETMEM97
SCHEMBL772833 0.87 KMT2A (0.56) HTTSMN1; SMN2RAD52CYP1A2CHEK1
SCHEMBL1991981 0.86 HTT (0.55) HTTSMN1; SMN2RAD52CYP1A2CYP2D6
SCHEMBL17911673 0.81 HTT (0.56) HTTSMN1; SMN2ALDH1A1KDM4ETMEM97
SCHEMBL27362943 0.81 HTT (0.56) HTTSMN1; SMN2RAD52CYP1A2CYP2D6
SCHEMBL15033601 0.80 MAPK1 (0.59) HTTSMN1; SMN2RAD52CYP1A2CYP2D6
SCHEMBL772102 0.79 HTT (0.58) HTTSMN1; SMN2RAD52CYP1A2AOX1
SCHEMBL26210939 0.78 SMN1; SMN2 (0.55) HTTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL771444 0.78 HTT (0.59) HTTALDH1A1KDM4ESIGMAR1
SCHEMBL2087431 0.77 ALDH1A1 (0.62) SMN1; SMN2CYP1A2CYP2D6ALDH1A1TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838198-B2 Photoresist compositions and method for multiple exposures with multiple layer resist systems INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-23 US claimed
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
US-8394573-B2 Photoresist compositions and methods for shrinking a photoresist critical dimension INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-03-12 US disclosed
US-20120070787-A1 PHOTORESIST COMPOSITIONS AND METHODS FOR SHRINKING A PHOTORESIST CRITICAL DIMENSION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-22 US disclosed
US-7838198-B2 Photoresist compositions and method for multiple exposures with multiple layer resist systems INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-11-23 US disclosed
US-20090155718-A1 PHOTORESIST COMPOSITIONS AND METHOD FOR MULTIPLE EXPOSURES WITH MULTIPLE LAYER RESIST SYSTEMS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-18 US disclosed