SCHEMBL965520

SCHEMBL965520

Cc1ccccc1C1=CC=CC1.[V]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TSHR P16473 2/20 0.36
ACHE P22303 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
GALR1 P47211 1/20 0.35
HTR7 P34969 1/20 0.33
PLA2G7 Q13093 1/20 0.33
GAA P10253 1/20 0.32
IDO1 P14902 1/20 0.32
METAP2 P50579 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL2836933 0.98 TSHR (0.38) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL28006187 0.84
SCHEMBL30626777 0.84
SCHEMBL6243314 0.84 TRPA1 (0.34) NPC1RAB9AACHECYP1A2
SCHEMBL113609 0.82 TRPA1 (0.35) NPC1RAB9ASMN1; SMN2TSHRACHE
SCHEMBL7719570 0.80 MYC (0.34) ACHEHTR7CA1CA2CA9
SCHEMBL21044936 0.78
SCHEMBL6942943 0.77
SCHEMBL14153633 0.75 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2TSHRGAA
SCHEMBL11074497 0.75 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2028196-B1 METHOD FOR PRODUCING POLYBUTADIENE UBE INDUSTRIES (JP) 2011-02-02 EP disclosed
US-7868103-B2 Method for producing polybutadiene UBE INDUSTRIES, LTD. (JP) 2011-01-11 US disclosed
EP-1249457-B1 Method of producing a polymer UBE INDUSTRIES (JP) 2005-07-20 EP disclosed
US-6521726-B1 Method of producing a polymer UBE INDUSTRIES, LTD. (JP) 2003-02-18 US disclosed
EP-1249457-A2 Method of producing a polymer Ube Industries, Ltd. (JP) 2002-10-16 EP disclosed