SCHEMBL20628807

SCHEMBL20628807

COOc1ccc2c(cnn2Cc2cc(O)ccc2OCC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 12/20 0.37
▸ HTR2A P28223 5/20 0.36
▸ HTR2C P28335 5/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36
▸ ADRA2C P18825 2/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HTR4 Q13639 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ QPCT Q16769 1/20 0.32
▸ QPCTL Q9NXS2 1/20 0.32
▸ FOS P01100 1/20 0.32
▸ JUN P05412 1/20 0.32

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
SCHEMBL15058148 0.82 ALDH1A1 (0.40) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15057343 0.82 ALDH1A1 (0.41) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL20628799 0.82 PTGER1 (0.39) PTGER1HTR2AHTR2CHTR2BHTR1A
SCHEMBL20628806 0.80 ALDH1A1 (0.40) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15057507 0.74 EPHX2 (0.38) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL22728618 0.73 PTGER1 (0.39) PTGER1
SCHEMBL15057775 0.73 PLA2G4A (0.43) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15057366 0.73 EPHX2 (0.41) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15057921 0.73 FOS (0.38) PTGER1ALDH1A1MAPTPKMTSHR
SCHEMBL15057589 0.72 PLA2G4A (0.42) 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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