SCHEMBL6673577

SCHEMBL6673577

COc1c(C(C)(C)C)cc(Cl)cc1C(C)(C)Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TNFRSF1A P19438 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ERBB2 P04626 1/20 0.35
DHFR P00374 1/20 0.35
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
ADRA2A P08913 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 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
Phosphine SCHEMBL28191605 0.90 PTGS2 (0.44) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL25950818 0.82 PTGS2 (0.40) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL5083897 0.82 ERBB2 (0.45) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL8996628 0.82 KMT2A (0.39) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL6676891 0.82 PTGS2 (0.42) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL6673542 0.82 ALDH1A1 (0.45) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL6672713 0.82 CA1 (0.55) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL12401834 0.80 MAP3K14 (0.41) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL12401805 0.80 LMNA (0.41) PTGS2ALDH1A1TSHRTDP1LMNA
SCHEMBL25950827 0.76 ALDH1A1 (0.37) PTGS2ALDH1A1TSHRTDP1TNFRSF1A

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-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed