SCHEMBL31558355

SCHEMBL31558355

C[C@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-].C[C@H](CC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)[O-].[Ca+2]

nearest known ligand 0.51

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 known ✓ P23219 1/20 0.50
▸ MMP13 known ✓ P45452 1/20 0.41
▸ LMNA P02545 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KMT2A Q03164 3/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ SRR Q9GZT4 1/20 0.41
▸ PSAT1 Q9Y617 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ MMP14 P50281 1/20 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
SCHEMBL31558358 1.00 LMNA (0.50) LMNATSHRGAAABCC4PTGS1
SCHEMBL18970304 0.86 ABCC4 (0.55) LMNATSHRGAAABCC4PTGS1
SCHEMBL18970284 0.86 ABCC4 (0.55) LMNATSHRGAAABCC4PTGS1
SCHEMBL22295411 0.84 LMNA (0.53) LMNATSHRGAAABCC4PTGS1
SCHEMBL21572800 0.83 LMNA (0.51) LMNATSHRGAAABCC4PTGS1
SCHEMBL24555290 0.82 LMNA (0.50) LMNATSHRGAAABCC4PTGS1
SCHEMBL20583484 0.81 ALDH1A1 (0.50) LMNATSHRGAAABCC4PTGS1
SCHEMBL20583485 0.81 ALDH1A1 (0.50) LMNATSHRGAAABCC4PTGS1
SCHEMBL20583508 0.81 ALDH1A1 (0.50) LMNATSHRGAAABCC4PTGS1
SCHEMBL20583510 0.81 ALDH1A1 (0.50) LMNATSHRGAAABCC4PTGS1

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
CN-119798080-A Preparation method of (R) -5- ([ 1,1' -biphenyl ] -4-yl) -2-methyl-4-oxopentanoic acid calcium salt 杭州科巢生物科技有限公司 2025-04-11 — — CN claimed
CN-119798080-B Preparation method of (R) -5- ([ 1,1' -biphenyl ] -4-yl) -2-methyl-4-oxopentanoic acid calcium salt 杭州科巢生物科技有限公司 2025-10-03 — — CN disclosed
CN-119798080-A Preparation method of (R) -5- ([ 1,1' -biphenyl ] -4-yl) -2-methyl-4-oxopentanoic acid calcium salt 杭州科巢生物科技有限公司 2025-04-11 — — CN disclosed
CN-119798080-A Preparation method of (R) -5- ([ 1,1' -biphenyl ] -4-yl) -2-methyl-4-oxopentanoic acid calcium salt 杭州科巢生物科技有限公司 2025-04-11 — — CN disclosed
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