SCHEMBL6672597

SCHEMBL6672597

CCC(C)C1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
ACHE P22303 3/20 0.40
POLB P06746 2/20 0.40
GPR3 P46089 2/20 0.40
HTR2A P28223 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 2/20 0.40
ATM Q13315 1/20 0.40
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL6674905 0.80 CYP1A2 (0.43) TSHRCYP1A2ACHEPOLBGPR3
SCHEMBL1539788 0.79 HTR2A (0.47) TSHRCYP1A2ACHEPOLBGPR3
SCHEMBL22651769 0.78 CYP1A2 (0.39) TSHRCYP1A2ACHEPOLBGPR3
SCHEMBL14301411 0.78 L3MBTL1 (0.50) TSHRCYP1A2POLBMEN1KMT2A
SCHEMBL14301412 0.78 MAPT (0.36) TSHRCYP1A2ACHEPOLBHTR2A
Hydrochloric Acid SCHEMBL8675278 0.77 CYP1A2 (0.41) TSHRCYP1A2ACHEPOLBGPR3
SCHEMBL20099166 0.77 SLC25A5 (0.46) CYP1A2POLBMEN1KMT2ABCHE
Hydrochloric Acid SCHEMBL8675273 0.77 CYP1A2 (0.41) TSHRCYP1A2ACHEPOLBGPR3
Hydrochloric Acid SCHEMBL8677450 0.77 CYP1A2 (0.41) TSHRCYP1A2ACHEPOLBGPR3
Hydrochloric Acid SCHEMBL8677446 0.77 CYP1A2 (0.41) TSHRCYP1A2ACHEPOLBGPR3

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