SCHEMBL7971640

SCHEMBL7971640

O=Cc1ccc(Oc2ccccc2-c2ccccc2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.44
KMT2A Q03164 3/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
LMNA P02545 4/20 0.42
GAA P10253 2/20 0.42
CYP2C9 P11712 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 3/20 0.42
POLB P06746 3/20 0.42
TTR P02766 1/20 0.42
ERN1 O75460 1/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 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
SCHEMBL707315 0.88 CTNNB1 (0.53) CTNNB1KMT2APARP10PARP3LMNA
SCHEMBL5974724 0.83 LTA4H (0.48) CTNNB1KMT2ALMNAGAACYP2C9
4-Hydroxybenzaldehyde SCHEMBL28715730 0.79 CTNNB1 (0.51) CTNNB1KMT2ALMNAGAACYP2C9
Cyclopropane SCHEMBL5972973 0.79 LTA4H (0.44) CTNNB1KMT2ALMNAGAAKDM4E
SCHEMBL708142 0.78 ALDH1A1 (0.54) CTNNB1KMT2ALMNACYP2C9RAB9A
SCHEMBL25960695 0.77 TTR (0.64) CTNNB1KMT2APARP10PARP3LMNA
SCHEMBL2562259 0.77 CTNNB1 (0.70) CTNNB1KMT2APARP10PARP3LMNA
SCHEMBL13599494 0.77 CTNNB1 (0.47) CTNNB1KMT2APARP10PARP3LMNA
SCHEMBL8311249 0.77 TTR (0.58) KMT2APARP10PARP3LMNAGAA
SCHEMBL9664968 0.77 CTNNB1 (0.47) CTNNB1KMT2APARP10PARP3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed