SCHEMBL4248245

SCHEMBL4248245

CC(C)(C)c1cc(C(C)(C)C)c(O[Al](Cl)Oc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
RXRA P19793 2/20 0.31
PPARG P37231 2/20 0.31
RARG P13631 1/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ATP2A2 P16615 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ATP2A3 Q93084 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
SCHEMBL4246687 0.81 CYP1A2 (0.33) RXRAPPARGRARGCYP1A2
SCHEMBL1304654 0.81 GABRA1 (0.34) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL3678165 0.76 CYP1A2 (0.34) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL2947022 0.73 PTGS2 (0.47) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL10601723 0.71 GABRA1 (0.37) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL12225262 0.71 GABRA1 (0.37) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL4247017 0.71 GABRA1 (0.37) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL10601737 0.71 GABRA1 (0.37) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL15907991 0.71 GABRA1 (0.37) GABRA1GABRB2RXRAPPARGRARG
SCHEMBL9068331 0.71 GABRA1 (0.33) GABRA1GABRB2RXRAPPARGRARG

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
US-20090048408-A1 CATALYST COMPRISING HETEROLEPTIC ALUMINUM AND COBALT COMPOUNDS AND A METHOD OF PREPARING POLYBUTADIENE USING THE SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-02-19 US claimed
US-20090048408-A1 CATALYST COMPRISING HETEROLEPTIC ALUMINUM AND COBALT COMPOUNDS AND A METHOD OF PREPARING POLYBUTADIENE USING THE SAME KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-02-19 US disclosed