SCHEMBL10535018

SCHEMBL10535018

COC(=O)C(C(=O)OC)C1(C)CCc2c(C)c(OCc3ccccc3)c(C)c(C)c2O1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 11/20 0.44
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX5 P09917 1/20 0.36
GLRA1 P23415 1/20 0.35
PTPN1 P18031 1/20 0.35
LTA4H P09960 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
SCHEMBL10972549 0.84 PSEN1 (0.40) PSEN1LMNAPPARGPTPN1
SCHEMBL2140130 0.82 PSEN1 (0.53) PSEN1TSHRALOX5
SCHEMBL2140140 0.82 PSEN1 (0.53) PSEN1TSHRALOX5
SCHEMBL4592776 0.81 PSEN1 (0.65) PSEN1TSHRALOX5
SCHEMBL6597291 0.81 PSEN1 (0.65) PSEN1TSHRALOX5
SCHEMBL11446060 0.80 PSEN1 (0.44) PSEN1PPARGALOX5PTPN1
SCHEMBL11705056 0.80 PSEN1 (0.44) PSEN1PPARGALOX5PTPN1
SCHEMBL11701054 0.80 PSEN1 (0.56) PSEN1TSHRALOX5
SCHEMBL11625779 0.80 PSEN1 (0.41) PSEN1PPARGALOX5PTPN1
SCHEMBL10699108 0.80 PSEN1 (0.41) PSEN1ALOX5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235510-B1 3,4-DIHYDRO-2,5,7,8-TETRAMETHYL-2H-1-BENZOPYRAN DERIVATIVES AND PROCESSES FOR THEIR PREPARATION F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1989-03-08 EP claimed
US-4806661-A Chromanemelonate esters HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US claimed
US-4824971-A 2-allylchromans HOFFMAN-LA ROCHE INC. (US) 1989-04-25 US disclosed
US-4806661-A Chromanemelonate esters HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US disclosed
US-4752646-A 2-halochromans HOFFMANN-LA ROCHE INC. (US) 1988-06-21 US disclosed