SCHEMBL21923048

SCHEMBL21923048

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

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
PRKCA P17252 1/20 0.47
CYP17A1 P05093 2/20 0.45
CYP19A1 P11511 2/20 0.45
PKM P14618 1/20 0.42
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
EPHX2 P34913 1/20 0.40
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL25687177 0.89 NPSR1 (0.53) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12132675 0.85 ALDH1A1 (0.58) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10531432 0.82 ALDH1A1 (0.49) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6452242 0.82 EPHX2 (0.52) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL21534591 0.82 NPSR1 (0.39) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12972108 0.81 PRKCA (0.50) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25776354 0.81 EPHX2 (0.58) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12972101 0.79 PRKCA (0.56) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29135743 0.79 EPHX2 (0.57) NPSR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL15373739 0.79 ALDH1A1 (0.46) NPSR1ALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3343292-B1 CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS SHINETSU CHEMICAL CO (JP) 2020-05-06 EP disclosed
EP-3644122-A1 ONIUM SALT, NEGATIVE RESIST COMPOSITION, AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2020-04-29 EP disclosed