SCHEMBL20629010

SCHEMBL20629010

CCc1nn(Cc2cc(C(F)(F)F)ccc2OCC(C)C)c2ccc(C(=O)O)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 2/20 0.41
▸ PTGER1 P34995 15/20 0.41
▸ TEAD1 P28347 1/20 0.38
▸ TEAD4 Q15561 1/20 0.38
▸ TEAD2 Q15562 1/20 0.38
▸ TEAD3 Q99594 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL15076257 0.89 PTGER1 (0.44) SLC22A12PTGER1
SCHEMBL15076261 0.86 SLC22A12 (0.43) SLC22A12PTGER1
SCHEMBL15076186 0.82 PTGER1 (0.43) SLC22A12PTGER1TEAD1TEAD4TEAD2
SCHEMBL15076249 0.81 PTGER1 (0.41) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15076238 0.79 SLC22A12 (0.43) SLC22A12PTGER1
SCHEMBL15076210 0.78 PTGER1 (0.39) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15076242 0.77 RORC (0.45) SLC22A12PTGER1ALDH1A1MAPTPKM
SCHEMBL15076266 0.75 PTGER1 (0.57) PTGER1
SCHEMBL15053916 0.75 PTGER1 (0.46) SLC22A12PTGER1
SCHEMBL20628878 0.74 PTGER1 (0.40) PTGER1ALDH1A1MAPTPKMTSHR

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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