SCHEMBL27436705

SCHEMBL27436705

O=C(OCCC(F)(F)F)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.49
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
PRKCA P17252 1/20 0.46
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 2/20 0.44
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL16807402 0.87 NPSR1 (0.47) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL26313033 0.85 ALDH1A1 (0.44) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL12204992 0.84 ALDH1A1 (0.43) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL8798343 0.84 NPSR1 (0.44) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL12256229 0.84 PRKCA (0.46) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL14055175 0.84 CYP17A1 (0.43) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL12132675 0.83 ALDH1A1 (0.58) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL14946682 0.83 ALDH1A1 (0.42) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL15279135 0.82 ALDH1A1 (0.50) NPSR1ALDH1A1KMT2AMAPTMEN1
SCHEMBL16214840 0.82 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12032290-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, pattern forming method, and method for manufacturing electronic device FUJIFILM CORPORATION (JP) 2024-07-09 US disclosed