SCHEMBL5046404

SCHEMBL5046404

COC(=O)C(C)Cc1cccc(CN)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.58
TPSAB1 Q15661 3/20 0.49
F10 P00742 6/20 0.48
PRSS1 P07477 5/20 0.48
SLC7A5 Q01650 2/20 0.47
F2 P00734 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41

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
SCHEMBL6028187 0.89 TAAR1 (0.54) LOXL2SLC7A5MEN1KMT2ATAAR1
SCHEMBL27474494 0.87 LOXL2 (0.58) LOXL2TPSAB1PRSS1MEN1KMT2A
SCHEMBL12185043 0.86 LOXL2 (0.45) LOXL2TPSAB1F10PRSS1SLC7A5
SCHEMBL8802162 0.86 ALDH1A1 (0.47) LOXL2F10PRSS1SLC7A5F2
SCHEMBL28497180 0.84 SLC7A5 (0.47) LOXL2F10PRSS1SLC7A5F2
SCHEMBL28497181 0.84 SLC7A5 (0.47) LOXL2F10PRSS1SLC7A5F2
SCHEMBL14978879 0.83 CYP4F2 (0.44) LOXL2SLC7A5MEN1KMT2AALDH1A1
SCHEMBL2496147 0.83 NLRP3 (0.50) SLC7A5MEN1KMT2AALDH1A1THRB
SCHEMBL2500604 0.83 NLRP3 (0.50) SLC7A5MEN1KMT2AALDH1A1THRB
SCHEMBL27810401 0.83 NLRP3 (0.50) SLC7A5MEN1KMT2AALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed