SCHEMBL11700264

SCHEMBL11700264

CCOC(=O)C1(Br)C(=O)Cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
OPRM1 P35372 6/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
SLC22A1 O15245 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
FGB P02675 1/20 0.36
KDM4E B2RXH2 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ABL1 P00519 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL11704517 0.77 BRD4 (0.38) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL11704243 0.76 BRD4 (0.37) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL10148339 0.72 BRD4 (0.49) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL6070187 0.72 ALDH1A1 (0.44) BRD4KCNH2ALDH1A1GAALMNA
SCHEMBL14613162 0.69 MEN1 (0.42) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL7301462 0.68 BRD4 (0.54) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL16836131 0.67 BRD4 (0.52) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL21142455 0.67 BRD4 (0.68) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL27282515 0.67 GLA (0.56) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL3695615 0.67 ALDH1A1 (0.40) KCNH2ALDH1A1GAATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US disclosed