SCHEMBL5048103

SCHEMBL5048103

CS(=O)(=O)N(Cc1cccc(CCC(=O)O)c1)Cc1ccc2c(c1)CCO2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA9 Q16790 2/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL5049449 0.90 L3MBTL1 (0.43) FABP4L3MBTL1NPC1POLBRAB9A
SCHEMBL5133321 0.88 FABP4 (0.49) FABP4NPC1POLBRAB9AALDH1A1
SCHEMBL5043143 0.84 KMT2A (0.51) FABP4ALDH1A1KEAP1NFE2L2TRPM8
SCHEMBL81136 0.82 FABP4 (0.58) FABP4NPC1POLBRAB9ATRPM8
SCHEMBL5049388 0.81 TAS2R14 (0.47) NPC1POLBRAB9AALDH1A1KEAP1
SCHEMBL5046766 0.78 FFAR1 (0.54) POLBALDH1A1CA12CA1CA2
SCHEMBL14569572 0.77 PTGDR2 (0.52) L3MBTL1NPC1RAB9AALDH1A1TRPM8
SCHEMBL5048210 0.77 ALDH1A1 (0.45) POLBALDH1A1TRPM8MAPT
SCHEMBL6059002 0.76 ALDH1A1 (0.60) L3MBTL1NPC1RAB9AALDH1A1CA12
SCHEMBL5050268 0.75 NR3C1 (0.61) CA12CA1CA2CA4CA9

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 3 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