SCHEMBL29601747

SCHEMBL29601747

C[Zr+2]C.Cc1cc(C)c([O-])c(-c2ccccc2-c2cccc(-c3cccc(-c4ccccc4-c4cc(C)cc(C)c4[O-])n3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
PDK2 Q15119 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2A6 P11509 1/20 0.32
CCR1 P32246 2/20 0.32
CCR8 P51685 2/20 0.32
AR P10275 1/20 0.32
PSMB5 P28074 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
ALPL P05186 1/20 0.30
HSP90AA1 P07900 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL30619648 0.79 RARG (0.31)
SCHEMBL29396113 0.78 CNR2 (0.32) KDM4ESMN1; SMN2
SCHEMBL24359577 0.77 ALDH1A1 (0.44) TGFBR1PDK2CYP1A2CYP2A6CCR1
SCHEMBL29601673 0.77 ALDH1A1 (0.44) TGFBR1PDK2CYP1A2CYP2A6CCR1
SCHEMBL29601888 0.72 HSP90AA1 (0.33) L3MBTL1HSP90AA1ALDH1A1
SCHEMBL30619617 0.71 RARG (0.31)
SCHEMBL29435404 0.70 KDM4E (0.32) KDM4ESMN1; SMN2
SCHEMBL24359491 0.70 PTPN1 (0.35) TGFBR1CYP1A2CCR1CCR8L3MBTL1
SCHEMBL7232672 0.69 MEN1 (0.46) CYP1A2CYP2A6CCR1CCR8L3MBTL1
SCHEMBL29601274 0.68 SREBF2 (0.45) ARL3MBTL1KDM4ELMNASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312772-A1 Multidentate Lewis Base Catalysts and Methods for use Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-05 US disclosed
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