SCHEMBL11429428

SCHEMBL11429428

CC(C)(C)C1=CC(O)(c2ccc(F)cc2)C=C(C(C)(C)C)C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
GPR55 Q9Y2T6 1/20 0.70
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MCL1 Q07820 1/20 0.33
ATM Q13315 1/20 0.33
NR1I2 O75469 2/20 0.33
RORC P51449 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL7213737 0.69 POLB (0.55) POLBGPR55ALDH1A1MAPTSMN1; SMN2
SCHEMBL9861297 0.68 POLB (0.50) POLBGPR55ALDH1A1MAPTMCL1
SCHEMBL13886742 0.68 POLB (0.53) POLBGPR55ALDH1A1MAPTSMN1; SMN2
SCHEMBL11425808 0.68 POLB (0.58) POLBGPR55MAPTKMT2ANPC1
SCHEMBL11426233 0.68 GPR55 (0.63) POLBGPR55ALDH1A1MAPTKMT2A
SCHEMBL11492393 0.67 POLB (0.57) POLBGPR55ALDH1A1MAPTKMT2A
SCHEMBL11062446 0.67 POLB (0.57) POLBGPR55ALDH1A1MAPTKMT2A
SCHEMBL11036021 0.67 POLB (0.57) POLBGPR55ALDH1A1MAPTMCL1
SCHEMBL10705080 0.66 POLB (0.59) POLBGPR55ALDH1A1MAPTNPC1
SCHEMBL11062673 0.65 POLB (0.50) POLBGPR55

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-4232043-A HALO-, METHOXY-, METHYL- OR 4-NITRO PHENYL-SUBSTITUTED 2,6-DI(T-BUTYL) PHENOL RIKER LABORATORIES, INC. (US) 1980-11-04 US disclosed
US-4219501-A Anti-inflammatory method RIKER LABORATORIES, INC. (US) 1980-08-26 US disclosed
US-4172151-A 2,6-DI-TERT-BUTYL-PHENOL DERIVATIVES RIKER LABORATORIES, INC. (US) 1979-10-23 US disclosed