SCHEMBL11824920

SCHEMBL11824920

CC(C)CCOC(=O)Cc1ccc2c(c1)SCc1ccccc1C2=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 2/20 0.64
▸ CYP19A1 P11511 1/20 0.43
▸ MAPK14 Q16539 1/20 0.41
▸ MAPT P10636 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 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
SCHEMBL11820581 0.89 AKR1B1 (0.68) AKR1B1MAPK14MAPTKDM4ELMNA
SCHEMBL11826995 0.86 AKR1B1 (0.71) AKR1B1MAPK14MAPTKDM4ELMNA
SCHEMBL11827878 0.86 AKR1B1 (0.64) AKR1B1MAPK14KDM4ELMNA
SCHEMBL11570176 0.86 AKR1B1 (0.64) AKR1B1MAPK14KDM4ELMNA
SCHEMBL11824625 0.86 AKR1B1 (0.64) AKR1B1MAPK14KDM4ELMNA
SCHEMBL11570278 0.86 AKR1B1 (0.64) AKR1B1MAPK14KDM4ELMNA
SCHEMBL11820546 0.85 AKR1B1 (0.69) AKR1B1MAPK14MAPTLMNA
SCHEMBL11824727 0.84 AKR1B1 (0.74) AKR1B1MAPK14MAPT
SCHEMBL11736784 0.82 AKR1B1 (0.64) AKR1B1MAPK14
SCHEMBL11850765 0.80 AKR1B1 (0.61) AKR1B1MAPK14MAPTKDM4ELMNA

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-4000308-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 — — US claimed
US-4000308-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 — — US disclosed
US-4000288-A ANALGESICS, ANTIINFLAMMATORY AGENTS, PYREXIA SYNTEX (U.S.A.) INC. (US) 1976-12-28 — — US disclosed
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