SCHEMBL9204058

SCHEMBL9204058

COc1ccccc1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
CA2 P00918 5/20 0.52
CA1 P00915 3/20 0.52
PTPN1 P18031 2/20 0.49
PGR P06401 1/20 0.47
AR P10275 1/20 0.47
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
HTR7 P34969 1/20 0.44
PTPRC P08575 1/20 0.44
PDK2 Q15119 1/20 0.43
PTPN5 P54829 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL27344106 0.86 CA2 (0.47) ERN1CA2CA1PTPN1PTGS2
SCHEMBL31006760 0.84 CA2 (0.67) CA2CA1PTPN1PTGS2PTGS1
SCHEMBL31199174 0.80 ERN1 (0.71) ERN1CA2CA1PTPN1PTPRC
SCHEMBL14853277 0.80 HSP90AA1 (0.46) ERN1CA2CA1PTGS2PTPN5
SCHEMBL31046785 0.79 ADORA3 (0.45) ERN1PTPN1PGRARPTPRC
SCHEMBL9272705 0.79 CA2 (0.59) CA2CA1PTPN1PGRAR
SCHEMBL30875145 0.78 CA2 (0.64) CA2CA1PTPN1PTGS2PTGS1
SCHEMBL3743489 0.78 PTPRC (0.58) ERN1CA2CA1PTPN1HTR7
SCHEMBL18593548 0.78 PTPN5 (0.48) ERN1PTPN1HTR7PTPRCPDK2
SCHEMBL11427045 0.77 CA2 (0.57) CA2CA1PTPN1ARPTGS2

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-0382213-B1 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMA CO LTD (JP) 1995-05-10 EP disclosed
US-5053548-A Containing hydroxy substituents; nervous system disorders OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-01 US disclosed
EP-0382213-A2 Biphenyl derivative, nerve cell degeneration repairing or protecting agent and process for preparing a phenyl derivative contained in the agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed
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