Sugi Predict

Sugi Predict / Compounds / SCHEMBL14775796

SCHEMBL14775796

SCHEMBL14775796

CCOC(=O)CCCCCCN1C(=O)CC[C@H]1C=CC(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 17/20 0.47
▸ PTGER3 P43115 7/20 0.46
▸ PTGER2 P43116 6/20 0.43
▸ P2RX7 Q99572 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ PTGER1 P34995 2/20 0.41

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
SCHEMBL6162531 0.88 PTGER4 (0.57) PTGER4PTGER3PTGER2PTGER1
SCHEMBL6162536 0.88 PTGER4 (0.57) PTGER4PTGER3PTGER2PTGER1
SCHEMBL14775911 0.85 PTGER4 (0.56) PTGER4PTGER3PTGER2PTGER1
SCHEMBL6717447 0.85 PTGER4 (0.56) PTGER4PTGER3PTGER2PTGER1
SCHEMBL6717439 0.85 PTGER4 (0.56) PTGER4PTGER3PTGER2PTGER1
SCHEMBL6711603 0.84 PTGER4 (0.59) PTGER4PTGER3PTGER2P2RX7ALDH1A1
SCHEMBL6694775 0.84 PTGER4 (0.59) PTGER4PTGER3PTGER2P2RX7ALDH1A1
SCHEMBL14775797 0.81 P2RX7 (0.43) PTGER4PTGER3PTGER2P2RX7KDM4E
SCHEMBL15033731 0.81 PTGER4 (0.53) PTGER4PTGER3PTGER2PTGER1
SCHEMBL4987037 0.81 PTGER4 (0.46) PTGER4PTGER3PTGER2PTGER1

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-1503984-B1 8-AZAPROSTAGLANDIN ANALOGS AS AGENTS FOR LOWERING INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-03-20 — — EP claimed