SCHEMBL11005690

SCHEMBL11005690

Cc1ccc2c(c1)C(C(=O)O)CCS2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
POLB P06746 3/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAPDH P04406 1/20 0.35
HSPA1A P0DMV8 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
APEX1 P27695 1/20 0.35
PTPN7 P35236 1/20 0.35
BRCA1 P38398 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL5162298 0.81 VHL (0.41) MEN1KMT2APTGDR2MAPT
SCHEMBL2792592 0.81 HTR2B (0.39) MEN1KMT2APTGDR2POLBGAA
SCHEMBL11002734 0.81 RYR2 (0.46) SIRT1MEN1KMT2APTGDR2KDM4E
SCHEMBL1844609 0.77 NPC1 (0.48) MEN1KMT2APOLBTDP1NPC1
SCHEMBL5155950 0.76 SIRT1 (0.46) SIRT1PTGDR2
SCHEMBL5156938 0.74 FABP4 (0.33) KMT2APOLBPTPN7BLMTDP1
SCHEMBL1843692 0.73 SIRT1 (0.53) SIRT1MEN1KMT2APTGDR2POLB
SCHEMBL27267001 0.73 KMT2A (0.35) MEN1KMT2APOLBMAPTGAA
SCHEMBL11001522 0.73 MAOA (0.35) KMT2APOLBNPC1
SCHEMBL11001305 0.72 KDM4E (0.44) SIRT1MEN1KMT2AGAAKDM4E

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-4530919-A A 1,2,3,4-tetrahydronaphthalene carboxylic acid PFIZER INC. (US) 1985-07-23 US disclosed
US-4374148-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-02-15 US disclosed
US-4305955-A ORAL HYPOGLYCEMIC AGENTS, CHROMAN-4-CARBOXYLIC ACID OR THIOCHROMAN-4-CARBOXYLIC ACID PFIZER INC. (US) 1981-12-15 US disclosed