SCHEMBL27627552

SCHEMBL27627552

COc1ccc(-c2ccccc2F)cc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.64
KDM4E B2RXH2 2/20 0.50
IDO1 P14902 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
NR1I2 O75469 1/20 0.50
CYP2C8 P10632 1/20 0.50
PTPN11 Q06124 1/20 0.49
ERN1 O75460 1/20 0.49
CTSA P10619 1/20 0.48
DHODH Q02127 2/20 0.48
MCL1 Q07820 2/20 0.48
APAF1 O14727 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
CASP8 Q14790 1/20 0.48
CD274 Q9NZQ7 1/20 0.47
LMNA P02545 2/20 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
SCHEMBL31079392 0.87 SLC6A3 (0.52) ACMSDKDM4EALDH1A1HPGDERN1
SCHEMBL31079420 0.87 ACMSD (0.51) ACMSDIDO1ALDH1A1ERN1CTSA
SCHEMBL410761 0.84 TTR (0.65) ACMSDKDM4EIDO1ALDH1A1HPGD
SCHEMBL6536000 0.84 MCL1 (0.54) ACMSDKDM4EIDO1ALDH1A1HPGD
SCHEMBL4049992 0.83 ACMSD (0.61) ACMSDKDM4EALDH1A1HPGDPTPN11
SCHEMBL27838174 0.82 DHODH (0.53) KDM4EIDO1ALDH1A1HPGDPTPN11
SCHEMBL4602451 0.82 PTGS2 (0.56) ACMSDKDM4EALDH1A1HPGDPTPN11
SCHEMBL4600237 0.81 LMNA (0.60) KDM4EIDO1ALDH1A1HPGDNR1I2
SCHEMBL18742254 0.81 ACMSD (0.76) ACMSDKDM4EALDH1A1HPGDDHODH
SCHEMBL14252244 0.81 ACMSD (0.76) ACMSDKDM4EALDH1A1HPGDDHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4448504-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114818-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
CN-101413143-B Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST 2013-09-18 CN disclosed
CN-101413143-A Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2009-04-22 CN disclosed
CN-100448852-C Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2009-01-07 CN disclosed
CN-1747965-A Compositions and methods for stabilizing transthyretin and inhibiting transthyretin misfolding SCRIPPS RESEARCH INST (US) 2006-03-15 CN disclosed