SCHEMBL6853084

SCHEMBL6853084

C=Cc1ccccc1C(C)(C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.42
CNR1 P21554 14/20 0.42
ALDH1A1 P00352 1/20 0.33
GPR18 Q14330 2/20 0.32
GPR55 Q9Y2T6 2/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL11216774 0.82 CNR2 (0.43) CNR2CNR1GAA
SCHEMBL9779436 0.81 TNNC1 (0.33) CNR2CNR1ALDH1A1
SCHEMBL9779129 0.81 TNNC1 (0.33) CNR2CNR1ALDH1A1
SCHEMBL9779273 0.81 TNNC1 (0.33) CNR2CNR1ALDH1A1
SCHEMBL9779312 0.81 TNNC1 (0.33) CNR2CNR1ALDH1A1
SCHEMBL30540422 0.80 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ATSHR
SCHEMBL2789090 0.80 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ATSHR
SCHEMBL11445241 0.80 CNR2 (0.46) CNR2CNR1
SCHEMBL2785208 0.79 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL9779039 0.78 CNR1 (0.31) CNR2CNR1ALDH1A1

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
US-6710094-B2 MOLDED FOAM ARTICLES PREPARED USING THE FIRE-RETARDANT EXPANDABLE VINYL AROMATIC BEADS OF THIS INVENTION ARE RESISTANT TO FLAME, EVEN WHEN RELATIVELY LOW LEVELS OF THE FLAME RETARDANT STYROCHEM DELAWARE, INC. 2004-03-23 US disclosed
US-20030141031-A1 Processes for preparing patterns for use in metal castings NEW WINCUP HOLDINGS, INC. 2003-07-31 US disclosed
US-20020081379-A1 Treatment for the reduction of carbon defects in the lost foam process STYROCHEM DELAWARE, INC. 2002-06-27 US disclosed
US-20020028292-A1 Treatment for the reduction of carbon defects in the lost foam process STYROCHEM DELAWARE, INC. 2002-03-07 US disclosed
US-6303664-B1 PREPARING PATTERN FOR USE IN METAL CASTINGS BY ADDING HEXABROMOCYCLODODECANE OR TETRABROMOCYCLOOCTANE FLAME RETARDANTS TO VINYL AROMATIC MONOMER; SUSPENDING WATER; ADDING BLOWING AGENT; SEPARATING IMPREGNATED BEADS, WASHING, DRYING STYROCHEM DELAWARE, INC. 2001-10-16 US disclosed