SCHEMBL14769565

SCHEMBL14769565

O=C(OCS(=O)(=O)O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
PRKCA P17252 1/20 0.49
PKM P14618 1/20 0.47
CYP17A1 P05093 2/20 0.46
CYP19A1 P11511 2/20 0.46
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
XBP1 P17861 1/20 0.41

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
SCHEMBL98471 0.82 ALDH1A1 (0.47) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL10172817 0.80 ALDH1A1 (0.45) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL14769567 0.79 LMNA (0.51) ALDH1A1MAPTLMNA
SCHEMBL799836 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL10067116 0.78 ALDH1A1 (0.44) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL12132675 0.78 ALDH1A1 (0.58) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL24028228 0.77 NPSR1 (0.45) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL19606976 0.76 ALDH1A1 (0.45) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL13485618 0.76 ALDH1A1 (0.42) ALDH1A1KMT2ANPSR1MEN1MAPT
SCHEMBL18775944 0.76 ALDH1A1 (0.49) ALDH1A1KMT2ANPSR1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170075217-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-16 US disclosed
US-20170075217-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-16 US disclosed
US-20130065180-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2013-03-14 US disclosed