SCHEMBL29601673

SCHEMBL29601673

Cc1cc(C)c(O)c(-c2ccccc2-c2cccc(-c3cccc(-c4ccccc4-c4cc(C)cc(C)c4O)n3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
KDM4E B2RXH2 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
F2 P00734 2/20 0.37
F10 P00742 2/20 0.37
PLG P00747 2/20 0.37
PLAU P00749 2/20 0.37
PRSS1 P07477 2/20 0.37
PDK2 Q15119 1/20 0.37
TGFBR1 P36897 2/20 0.36
MAPK1 P28482 3/20 0.35
POLB P06746 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL24359577 1.00 ALDH1A1 (0.44) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL7232672 0.90 MEN1 (0.46) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL17265037 0.88 MEN1 (0.47) ALDH1A1L3MBTL1MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7242235 0.87 MEN1 (0.44) ALDH1A1L3MBTL1MEN1KMT2AMAPT
SCHEMBL22320319 0.83 F2 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL22320289 0.83 PLAU (0.44) ALDH1A1L3MBTL1MEN1KMT2AF2
SCHEMBL30423633 0.83 F2 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL22320332 0.81 PDK2 (0.38) ALDH1A1L3MBTL1KMT2ANPSR1PDK2
SCHEMBL30423320 0.81 PDK2 (0.38) ALDH1A1L3MBTL1KMT2ANPSR1PDK2
SCHEMBL22320298 0.80 CA2 (0.49) ALDH1A1MEN1KMT2AGAAPOLB

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
EP-4232484-A1 MULTIDENTATE LEWIS BASE CATALYSTS AND METHODS FOR USE THEREOF ExxonMobil Chemical Patents Inc. (US) 2023-08-30 EP disclosed
WO-2022087121-A1 MULTIDENTATE LEWIS BASE CATALYSTS AND METHODS FOR USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-04-28 WO disclosed