SCHEMBL8467310

SCHEMBL8467310

CC(=O)SC(C)CCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL7188715 0.90 KMT2A (0.56) KMT2AHPGDMEN1TSHRCYP2C9
SCHEMBL8465177 0.84 MAOB (0.41) KMT2AHPGDMEN1TSHR
SCHEMBL8467307 0.82 HDAC3 (0.44) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL7194545 0.79 HPGD (0.59) KMT2AHPGDMEN1TSHRLMNA
SCHEMBL11453378 0.78 SIGMAR1 (0.46) KMT2AMEN1
SCHEMBL16841361 0.77 TSHR (0.53) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL13235842 0.77 TSHR (0.53) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL15579910 0.77 TSHR (0.53) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL1678945 0.76 GRIK1 (0.54) KMT2AHPGDMEN1TSHRCYP2D6
SCHEMBL10473337 0.76 GRIK1 (0.54) KMT2AHPGDMEN1TSHRCYP2D6

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