SCHEMBL30740745

SCHEMBL30740745

COC(=O)c1occc1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.43
PTGFR P43088 1/20 0.43
PTGER3 P43115 1/20 0.43
PTGER2 P43116 1/20 0.43
PTGIR P43119 1/20 0.43
PTGDR Q13258 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
NLRP1 Q9C000 1/20 0.40
GAA P10253 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL30740817 0.81 HDAC8 (0.52) SMN1; SMN2ALDH1A1MRGPRX4LMNAMAPK1
SCHEMBL23631614 0.75 MAPT (0.40) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6211536 0.74 KDM4E (0.39) KDM4EALDH1A1MAPTMAPK1TDP1
SCHEMBL6986597 0.73 KDM4E (0.39) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL6299234 0.73 NQO2 (0.57) HPGDKDM4ESMN1; SMN2ALDH1A1NPSR1
SCHEMBL30740729 0.72 SMN1; SMN2 (0.46) HPGDKDM4ESMN1; SMN2ALDH1A1MRGPRX4
SCHEMBL5248861 0.71 CHRM2 (0.38) KDM4EALDH1A1MAPTLMNAMAPK1
SCHEMBL6986112 0.71 LOXL2 (0.44) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2097653 0.70 IDO1 (0.65) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL18796637 0.69 PDE3B (0.76) HPGDKDM4ESMN1; SMN2ALDH1A1NPSR1

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
CN-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 CN disclosed