SCHEMBL22728618

SCHEMBL22728618

CC(C)COc1ccc(OC(F)(F)F)cc1Cn1ncc2cc(CO)ccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 7/20 0.39
▸ CACNA1H O95180 4/20 0.38
▸ F2RL3 Q96RI0 4/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ IDH1 O75874 2/20 0.34
▸ TACR1 P25103 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
SCHEMBL15057237 0.85 RORC (0.42) PTGER1IDH1
SCHEMBL15057366 0.85 EPHX2 (0.41) PTGER1CACNA1HCNR1IDH1
SCHEMBL20629014 0.77 PTGER1 (0.37) PTGER1CACNA1H
SCHEMBL15057344 0.76 ALKBH1 (0.40) PTGER1TACR1
SCHEMBL15057507 0.76 EPHX2 (0.38) PTGER1IDH1
SCHEMBL15057775 0.76 PLA2G4A (0.43) PTGER1
SCHEMBL15054725 0.76 FOS (0.41) PTGER1TACR1
SCHEMBL15057921 0.74 FOS (0.38) PTGER1
SCHEMBL15057589 0.73 PLA2G4A (0.42) PTGER1
SCHEMBL20628807 0.73 PTGER1 (0.37) PTGER1

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-B1 COMPOUNDS ACTING AT MULTIPLE PROSTAGLANDIN RECEPTORS GIVING A GENERAL ANTI-INFLAMMATORY RESPONSE ALLERGAN INC (US) 2020-12-02 — — EP disclosed
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