SCHEMBL6678701

SCHEMBL6678701

C=CCOc1c(C(C)(C)C)cc(Cl)cc1C(C)(C)Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
CXCR5 P32302 1/20 0.32
LMNA P02545 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
HTR2C P28335 5/20 0.31
HTR2B P41595 4/20 0.31
HTR2A P28223 3/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL5089894 0.86 LMNA (0.39) GAATSHRHSD17B10MEN1KMT2A
SCHEMBL6676865 0.86 MEN1 (0.34) HSD17B10MEN1KMT2AHTTLMNA
SCHEMBL6675529 0.86 CYP2D6 (0.40) HSD17B10MEN1KMT2AALDH1A1HTT
SCHEMBL6676270 0.83 CA1 (0.42) GAAHSD17B10MEN1KMT2AKDM4E
SCHEMBL30402175 0.80 CA1 (0.39) GAAHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5083884 0.80 MEN1 (0.33) GAATSHRHSD17B10MEN1KMT2A
SCHEMBL9255038 0.78 CYP2D6 (0.43) HSD17B10MEN1KMT2AALDH1A1HTT
SCHEMBL6672811 0.78 ALDH1A1 (0.35) TSHRHSD17B10MEN1KMT2AKDM4E
SCHEMBL5086362 0.76
SCHEMBL5090222 0.76 HSD17B10 (0.31) HSD17B10MEN1KMT2A

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