SCHEMBL4884877

SCHEMBL4884877

Cc1cc(C)c2c(ccc3cc(C)cc(C)c32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.50
CYP2A6 P11509 5/20 0.50
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 2/20 0.42
RAPGEF4 Q8WZA2 6/20 0.39
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.33
NCK1 P16333 1/20 0.33
BACE1 P56817 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 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
SCHEMBL1760730 0.84 CYP1A2 (0.59) CYP1A2CYP2A6KDM4ETDP1CCR1
SCHEMBL599041 0.81 KDM4E (0.60) CYP1A2CYP2A6KDM4ETDP1RAPGEF4
SCHEMBL598921 0.79 CYP1A2 (0.52) CYP1A2CYP2A6KDM4ETDP1RAPGEF4
SCHEMBL597802 0.79 CYP1A2 (0.63) CYP1A2CYP2A6TDP1ALDH1A1HPGD
SCHEMBL27423499 0.79 RAPGEF4 (0.39) CYP1A2CYP2A6KDM4ETDP1RAPGEF4
SCHEMBL13316749 0.79 TP53 (0.46) CYP1A2CYP2A6KDM4ETDP1ALDH1A1
SCHEMBL28346830 0.76 TUBB4A (0.44) CYP1A2CYP2A6KDM4ETDP1ALDH1A1
SCHEMBL29659617 0.76 TUBB4A (0.44) CYP1A2CYP2A6KDM4ETDP1ALDH1A1
SCHEMBL29659608 0.75 TUBB4A (0.46) CYP1A2CYP2A6KDM4ETDP1ALDH1A1
SCHEMBL1760714 0.74 CYP1A2 (0.61) CYP1A2CYP2A6KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080017496-A1 SYSTEM, METHOD AND PROCESS OF RECOVERING OIL FROM USED AUTOMOBILE TIRES THOMPSON DAVID B 2008-01-24 US disclosed