SCHEMBL9503420

SCHEMBL9503420

CC(C)(C)c1cc(OCc2ccccc2C(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.53
BCL2 P10415 4/20 0.53
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.50
MRGPRX4 Q96LA9 2/20 0.49
HCAR2 Q8TDS4 1/20 0.48
NR4A2 P43354 3/20 0.48
FOLH1 Q04609 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43

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
SCHEMBL1368181 0.80 TP53 (0.63) TP53HTTMRGPRX4NR4A2FOLH1
SCHEMBL10420779 0.79 MCL1 (0.47) MCL1BCL2TP53HTTMRGPRX4
SCHEMBL31717939 0.79 MEN1 (0.66) TP53HTTMRGPRX4NR4A2FOLH1
SCHEMBL10564526 0.79 BCL2 (0.53) MCL1BCL2TP53HTTMRGPRX4
SCHEMBL4452776 0.78 HIF1A (0.61) MCL1TP53HTTMRGPRX4NR4A2
SCHEMBL8783125 0.77 SOD1 (0.49) MCL1BCL2HTTNR4A2NR4A1
SCHEMBL8591392 0.77 BCL2 (0.38) MCL1BCL2TP53HCAR2NR4A2
SCHEMBL8591394 0.77 BCL2 (0.38) MCL1BCL2TP53HCAR2NR4A2
SCHEMBL9503382 0.76 NR4A2 (0.67) TP53MRGPRX4NR4A2NR4A1NR4A3
SCHEMBL5988399 0.76 TP53 (0.56) TP53HTTMRGPRX4NR4A2FOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288305-B1 DI-T-BUTYLPHENYL ALKYL AND BENZYL ETHERS RIKER LABORATORIES, INC. (US) 1993-08-04 EP claimed
EP-0288305-A1 Di-t-butylphenyl alkyl and benzyl ethers RIKER LABORATORIES, INC. (US) 1988-10-26 EP claimed
JP-1034943-A None JP disclosed
EP-0288305-B1 DI-T-BUTYLPHENYL ALKYL AND BENZYL ETHERS RIKER LABORATORIES, INC. (US) 1993-08-04 EP disclosed
US-4973731-A Di-t-butylphenyl alkyl and benzyl ether nitriles RIKER LABORATORIES, INC. (US) 1990-11-27 US disclosed
EP-0288305-A1 Di-t-butylphenyl alkyl and benzyl ethers RIKER LABORATORIES, INC. (US) 1988-10-26 EP disclosed