SCHEMBL29539865

SCHEMBL29539865

CCOC(=O)C1C=Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 3/20 0.44
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RET P07949 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CACNA1C Q13936 2/20 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
SCHEMBL4372310 1.00 LMNA (0.47) LMNASMN1; SMN2TSHRKDM4ECYP1A2
Acetic Acid SCHEMBL27621956 0.95 TSHR (0.44) LMNASMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL29096390 0.85 SMN1; SMN2 (0.35) LMNASMN1; SMN2TSHRKDM4ECYP2C19
SCHEMBL21678003 0.83 SMN1; SMN2 (0.42) LMNASMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL27317635 0.83 LMNA (0.44) LMNASMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL16352990 0.81 CHRM2 (0.47) LMNASMN1; SMN2TSHRCYP1A2MAPT
SCHEMBL7860482 0.81 P2RX4 (0.40) LMNASMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL30105986 0.81 P2RX4 (0.40) LMNASMN1; SMN2TSHRKDM4ECYP1A2
SCHEMBL27581285 0.81 FABP7 (0.47) LMNATSHRALDH1A1L3MBTL1KMT2A
SCHEMBL8378960 0.80 POLB (0.37) LMNASMN1; SMN2KDM4EALDH1A1RET

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
CN-114874209-A Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-08-09 CN disclosed
CN-110461838-B Oxadiazole transient receptor potential channel inhibitors 豪夫迈·罗氏有限公司 2022-05-06 CN disclosed