SCHEMBL9504435

SCHEMBL9504435

CC(C)(C)c1cc(OCCCCCCC#N)cc(C(C)(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CNR1 P21554 7/20 0.36
CNR2 P34972 7/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PLA2G2A P14555 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL9504541 0.98 PDE3B (0.36) LTB4RHRH3CNR1CNR2PDE3B
SCHEMBL9417725 0.80 CA2 (0.46) LTB4RPLA2G2ALMNAPOLB
SCHEMBL9417678 0.80 CA2 (0.46) LTB4RPLA2G2ALMNAPOLB
SCHEMBL9417715 0.78 CA2 (0.47) LMNAPOLB
SCHEMBL6130948 0.73 PDE3B (0.42) LTB4RPDE3BPDE3AP2RY12PLA2G2A
SCHEMBL11415045 0.73 CASP1 (0.35)
SCHEMBL7879116 0.73 GABRA1 (0.41) HRH3CNR1CNR2LMNAPOLB
SCHEMBL9504508 0.72 PPARA (0.49) CNR1CNR2PLA2G2AHDAC3HDAC4
SCHEMBL9417684 0.72 CA2 (0.49) LMNAPOLB
SCHEMBL1722335 0.71 TLR4 (0.55)

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
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