SCHEMBL7630738

SCHEMBL7630738

CC1=Cc2c(ccc3c2ccc2ccccc23)C1[Si](C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.42
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP2A6 P11509 3/20 0.36
TSHR P16473 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CASP1 P29466 1/20 0.34
RAB9A P51151 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL3061385 0.83 CYP2A6 (0.38) HPRT1CYP3A4ALDH1A1HSD17B10CYP2A6
SCHEMBL7637891 0.81 HPRT1 (0.39) HPRT1CYP3A4ALDH1A1HSD17B10CYP2A6
SCHEMBL7054875 0.81 ENPP3 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL1825938 0.80 CYP2A6 (0.36) HPRT1CYP3A4ALDH1A1HSD17B10CYP2A6
SCHEMBL7200227 0.78 KDM4E (0.34) CYP3A4ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL9249191 0.72 ALDH1A1 (0.41) HPRT1CYP3A4ALDH1A1HSD17B10CYP2A6
SCHEMBL6244475 0.72 ALDH1A1 (0.37) HPRT1CYP3A4ALDH1A1HSD17B10CYP2A6
SCHEMBL7629651 0.72 HPRT1 (0.45) HPRT1CYP3A4ALDH1A1HSD17B10CYP2A6
SCHEMBL3149399 0.72 ENPP3 (0.38) ALDH1A1HSD17B10CYP2A6TSHRTDP1
SCHEMBL3144749 0.71 ALDH1A1 (0.37) ALDH1A1HSD17B10TSHRHPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991674-B1 CYCLOPENTA[I]PHENANTHRENE METAL COMPLEX CATALYST SYSTEMS BASF AG (DE) 2002-04-03 EP disclosed
US-6284851-B1 Cyclopenta[I] phenanthrene-metal complex catalyst systems BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed