SCHEMBL30003187

SCHEMBL30003187

CCOc1c2c(c(OC)c3ccccc13)CC=CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGER4 P35408 10/20 0.42
SYK P43405 1/20 0.36
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 4/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
IDO1 P14902 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL23271839 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL23271646 0.93 PTGER4 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL30003482 0.93 PTGER4 (0.46) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL30004166 0.89 KDM4E (0.61) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL7793875 0.89 KDM4E (0.61) ALDH1A1KDM4EMAPK1SMN1; SMN2POLB
SCHEMBL23271962 0.87 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL30003453 0.87 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL23271880 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL30003516 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4
SCHEMBL23271850 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EMAPK1SMN1; SMN2PTGER4

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed