SCHEMBL7459185

SCHEMBL7459185

CC1=C([Ti](Oc2cc(C)cc(C(C)(C)C)c2)=C(c2ccccc2)c2ccccc2)CC=C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL716838 0.99 TACR1 (0.33) TACR1RXRARXRBMAPTTDP1
SCHEMBL5085766 0.89
Hydrochloric Acid SCHEMBL716698 0.89 TACR1 (0.32) TACR1RXRARXRB
Hydrochloric Acid SCHEMBL717997 0.89 SMN1; SMN2 (0.32) MAPT
Hydrochloric Acid SCHEMBL717985 0.88
Hydrochloric Acid SCHEMBL716729 0.88
SCHEMBL4088153 0.88 TACR1 (0.32) TACR1RXRARXRB
Hydrochloric Acid SCHEMBL713280 0.88 GRM2 (0.36) MAPTTDP1L3MBTL1
Hydrochloric Acid SCHEMBL717316 0.87 TACR1 (0.31) TACR1RXRARXRB
Hydrochloric Acid SCHEMBL712648 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020072561-A1 OLEFIN-BASED COPOLYMER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-13 US disclosed