SCHEMBL6906312

SCHEMBL6906312

CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)cc(Cc3ccccc3)c1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
TSHR P16473 2/20 0.33
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
HTR2C P28335 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2B P41595 2/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
HPGD P15428 1/20 0.32
ALOX5 P09917 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
EGFR P00533 1/20 0.32
TACR1 P25103 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
DRD5 P21918 1/20 0.31

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
SCHEMBL6906560 0.93 ELANE (0.37) CYP2D6TSHRELANECD69HTR2C
SCHEMBL6903718 0.81 PON1 (0.37) CYP2D6ELANECD69
SCHEMBL6907158 0.75 POLB (0.34) TSHRELANECD69HTR1DHTR1B
SCHEMBL6900356 0.74 ALDH1A1 (0.43) TSHRELANECD69HPGDHRH3
SCHEMBL10539899 0.70 CYP2D6 (0.44) CYP2D6TSHRHTR1DHTR1BHPGD
SCHEMBL6906810 0.69 HTR2A (0.38) CYP2D6HTR2CHTR2AHTR2BBCL2
SCHEMBL11092652 0.69 CYP2D6 (0.62) CYP2D6TSHRHPGDALOX5BCL2
SCHEMBL29269305 0.69 SLC5A1 (0.46) CYP2D6TSHRHPGDBCL2BCL2L1
SCHEMBL6903879 0.69 ALDH1A1 (0.44) CYP2D6TSHRELANECD69HPGD
SCHEMBL10871265 0.69 BCL2 (0.52) CYP2D6ALOX5BCL2BCL2L1

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed