SCHEMBL11704243

SCHEMBL11704243

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
OPRM1 P35372 5/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
SLC22A1 O15245 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ADCY8 P40145 1/20 0.35
MAPK1 P28482 1/20 0.35
NAMPT P43490 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
FGB P02675 1/20 0.33
LMNA P02545 1/20 0.33

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 0.96 BRD4 (0.38) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL1206839 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL5863337 0.80 GLA (0.40) ALDH1A1MEN1KMT2A
SCHEMBL11700264 0.76 BRD4 (0.42) BRD4OPRM1OPRD1OPRK1SLC22A1
SCHEMBL6070187 0.73 ALDH1A1 (0.44) BRD4KCNH2ALDH1A1NAMPTKMT2A
SCHEMBL3695615 0.69 ALDH1A1 (0.40) KCNH2ALDH1A1NPC1RAB9A
SCHEMBL7385232 0.67 ALDH1A1 (0.50) KCNH2ALDH1A1MEN1KMT2A
SCHEMBL10205794 0.67 L3MBTL1 (0.46) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL7045213 0.66 MTTP (0.39) ALDH1A1
SCHEMBL10148339 0.66 BRD4 (0.49) BRD4OPRM1OPRD1OPRK1SLC22A1

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-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS 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