SCHEMBL26039738

SCHEMBL26039738

COc1ccc(CC(=O)C2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.64
HPGD P15428 3/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 3/20 0.52
HTT P42858 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CDK5 Q00535 1/20 0.48

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
SCHEMBL26637816 0.84 ALDH1A1 (0.60) EPHX2HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL2352038 0.83 ALDH1A1 (0.49) EPHX2ALDH1A1
SCHEMBL14038827 0.82 MEN1 (0.56) CYP1A2CYP2D6SMN1; SMN2ALDH1A1
SCHEMBL19621621 0.82 MEN1 (0.47) EPHX2
SCHEMBL2354923 0.81 PARP10 (0.50) EPHX2ALDH1A1
SCHEMBL6844891 0.81 LOXL2 (0.50) EPHX2HPGDCYP1A2CYP2D6CYP2C9
SCHEMBL16321255 0.80 EPHX2 (0.52) EPHX2HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL2348567 0.79 ALDH1A1 (0.49) EPHX2ALDH1A1
SCHEMBL10349404 0.79 EPHX2 (0.55) EPHX2HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL5880760 0.79 RAB9A (0.53) EPHX2NPC1RAB9AALDH1A1POLB

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-20230265346-A1 LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC LAYER, LAMINATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2023-08-24 US disclosed