SCHEMBL15058239

SCHEMBL15058239

CCC(CC)COc1ccc(Br)cc1Cn1cccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ CCR5 P51681 5/20 0.37
▸ PTGER1 P34995 4/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR6 P50406 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
SCHEMBL15051963 0.80 PTGDR2 (0.56) KDM4ECCR5PTGDR2RAB9AALDH1A1
SCHEMBL15052594 0.78 PTGER1 (0.47) KDM4ETDP1PTGER1PTGDR2CYP1A2
SCHEMBL15068508 0.75 PTGER1 (0.36) KDM4ETDP1PTGER1RAB9ACYP1A2
SCHEMBL15052158 0.74 PTGER1 (0.49) PTGER1CYP1A2
SCHEMBL19547233 0.74 PTGER1 (0.49) PTGER1CYP1A2
SCHEMBL20628804 0.74 RAB9A (0.39) KDM4ECCR5PTGDR2RAB9AALDH1A1
SCHEMBL20628900 0.74 PTGER1 (0.37) CCR5PTGER1PTGDR2RAB9AALDH1A1
SCHEMBL20629012 0.73 AAK1 (0.45) KDM4ETDP1RAB9AALDH1A1LMNA
SCHEMBL15076270 0.72 NR1H4 (0.42) PTGER1PTGDR2
SCHEMBL15076187 0.72 PTGDR2 (0.39) KDM4ECCR5PTGDR2RAB9AALDH1A1

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-2794561-A2 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2014-10-29 — — EP disclosed
WO-2013096496-A2 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN, INC. (US) 2013-06-27 — — WO disclosed
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