SCHEMBL7659846

SCHEMBL7659846

CC(C)(C)c1ccc(C2(O)CCC3(CC2)OCCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRIN2B Q13224 8/20 0.36
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.32
ICMT O60725 1/20 0.32
DRD2 P14416 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
SCHEMBL18253208 0.86 MAPT (0.51) MAPTHSD11B1GRIN2BLMNATYR
SCHEMBL14403245 0.86 DRD2 (0.39) SLC6A4SLC6A3OPRM1OPRK1OPRL1
SCHEMBL9036581 0.83 OPRL1 (0.46) LMNASLC6A4SLC6A3OPRM1OPRK1
SCHEMBL613489 0.81 OPRM1 (0.50) SLC6A4SLC6A3OPRM1OPRK1OPRL1
SCHEMBL16437275 0.78 HSD11B1 (0.50) MAPTHSD11B1SMN1; SMN2GRIN2BLMNA
SCHEMBL9343440 0.78 HSD11B1 (0.50) MAPTHSD11B1SMN1; SMN2GRIN2BLMNA
SCHEMBL742824 0.77 DRD2 (0.37) SLC6A4SLC6A3OPRM1OPRK1OPRL1
SCHEMBL2385636 0.77 OPRM1 (0.43) SMN1; SMN2LMNASLC6A4SLC6A3OPRM1
SCHEMBL612754 0.77 OPRM1 (0.43) NPC1RAB9ASMN1; SMN2SLC6A4SLC6A3
SCHEMBL613410 0.77 DRD2 (0.55) MAPTSMN1; SMN2LMNASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-1076056-A1 NOVEL SPIRO COMPOUNDS OR SALTS THEREOF AND PREVENTIVES/REMEDIES FOR AUTOIMMUNE DISEASES AND AP-1 INHIBITORS CONTAINING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 2001-02-14 EP disclosed