SCHEMBL15068508

SCHEMBL15068508

CCC(CC)COc1ccc(Br)cc1Cn1nccc1N

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 14/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL15051955 0.78 PTGER1 (0.43) PTGER1CYP1A2TP53MAPT
SCHEMBL15052004 0.78 ALDH1A1 (0.53) PTGER1CYP1A2KDM4ETP53MAPT
SCHEMBL19610448 0.77 PTGER1 (0.40) PTGER1CYP1A2TP53MAPT
SCHEMBL19547233 0.76 PTGER1 (0.49) PTGER1CYP1A2
SCHEMBL15052158 0.76 PTGER1 (0.49) PTGER1CYP1A2
SCHEMBL15058239 0.75 KDM4E (0.38) PTGER1CYP1A2KDM4ETDP1LMNA
SCHEMBL15051821 0.75 PTGER1 (0.40) PTGER1CYP1A2KMT2ASMN1; SMN2
SCHEMBL15052055 0.74 PTGER1 (0.46) PTGER1CYP1A2
SCHEMBL15051963 0.74 PTGDR2 (0.56) KDM4EMAPTLMNARAB9AKMT2A
SCHEMBL15070182 0.73 PTGER1 (0.56) PTGER1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797893-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2014-11-05 — — EP disclosed
WO-2013101598-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-07-04 — — WO disclosed
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