SCHEMBL20628900

SCHEMBL20628900

CCC(CC)COc1ccc(Br)cc1Cn1ccc2ccc(CO)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 4/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ HDAC8 Q9BY41 2/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ CCR5 P51681 6/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL15076270 0.84 NR1H4 (0.42) PTGER1PTGDR2HDAC8HDAC3HDAC4
SCHEMBL15076284 0.79 PPARG (0.44) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL15051963 0.78 PTGDR2 (0.56) PTGDR2CCR5ALDH1A1LMNAMAPT
SCHEMBL20629016 0.76 PLA2G4A (0.42) HDAC8HDAC3HDAC1HDAC2HDAC10
SCHEMBL15058239 0.74 KDM4E (0.38) PTGER1PTGDR2CCR5ALDH1A1LMNA
SCHEMBL15057113 0.73 PTGER1 (0.38) PTGER1PTGDR2
SCHEMBL20629024 0.71 PTGER1 (0.45) PTGER1
SCHEMBL15052594 0.70 PTGER1 (0.47) PTGER1PTGDR2
SCHEMBL20603549 0.69 PLA2G4A (0.50) PTGER1HDAC8HDAC3HDAC4HDAC1
SCHEMBL15076247 0.68 PPARG (0.47) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424904-A1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE Allergan, Inc. (US) 2019-01-09 — — EP disclosed
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