SCHEMBL8467453

SCHEMBL8467453

CC(S)CCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL6729364 0.86 TSHR (0.48) MEN1KMT2A
SCHEMBL17807999 0.86 TSHR (0.48) MEN1KMT2A
Hydrochloric Acid SCHEMBL965649 0.84 TSHR (0.47) MEN1KMT2A
SCHEMBL19090603 0.82 SIGMAR1 (0.50) SIGMAR1L3MBTL1MEN1KMT2AMAOA
SCHEMBL108633 0.82 LMNA (0.54) SIGMAR1L3MBTL1
Hydrochloric Acid SCHEMBL30514257 0.80 LMNA (0.53) SIGMAR1MEN1KMT2A
SCHEMBL8468315 0.79 MAOB (0.50) SIGMAR1MAOA
SCHEMBL918838 0.79 SIGMAR1 (0.44) SIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL1678945 0.78 GRIK1 (0.54) MEN1KMT2A
SCHEMBL1487691 0.78 MAOB (0.48) SIGMAR1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
US-5824661-A TREATMENT OF OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-10-20 US disclosed
EP-0642519-A1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
WO-1993024496-A1 SULFUR-CONTAINING PHOSPONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed