SCHEMBL7192121

SCHEMBL7192121

CCCC[CH]CC=C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR1 P21554 6/20 0.33
CNR2 P34972 6/20 0.33
TRPV1 Q8NER1 6/20 0.33
TRPA1 O75762 1/20 0.33
INHA P05111 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
PPARG P37231 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
TRPV2 Q9Y5S1 1/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL26092780 0.91 EP300 (0.42) CYP19A1TSHRALDH1A1TRPV1PPARG
SCHEMBL10457056 0.91 EP300 (0.42) CYP19A1TSHRALDH1A1TRPV1PPARG
SCHEMBL957232 0.78
SCHEMBL57502 0.78
SCHEMBL7278067 0.78 PPARG (0.44) CYP19A1TSHRALDH1A1CNR1TRPV1
SCHEMBL11855184 0.78 TSHR (0.47) TSHRALDH1A1TRPV1F7F3
SCHEMBL15487091 0.78 TSHR (0.31) TSHRALDH1A1
SCHEMBL23044056 0.78 KMT2A (0.47) ALDH1A1CNR1CNR2TRPV1TRPA1
SCHEMBL6201373 0.76 TSHR (0.39) TSHRALDH1A1KMT2AALOX15
SCHEMBL3492594 0.74 KMT2A (0.36) TSHRALDH1A1KMT2ASQLEMEN1

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-0874001-B1 Hydrosilated crystalline high trans polybutadiene with silica filler, tires having a base of said composition and method of preparing same BRIDGESTONE CORP (JP) 2003-02-05 EP disclosed
US-6017985-A A RUBBER ADDITIVE OF SILANE DERIVATIVE OF THE HIGH TRANS-1,4 POLYBUTADIENE CAN BE BLENDED WITH RUBBERS AND SILICA FILLERS TO PROVIDE REDUCED MOONEY VISCOSITY AND LOWER HYSTERESIS PROPERTIES BRIDGESTONE CORPORATION (JP) 2000-01-25 US disclosed
EP-0874001-A1 Hydrosilated crystalline high trans polybutadiene with silica filler, tires having a base of said composition and method of preparing same Bridgestone Corporation (JP) 1998-10-28 EP disclosed