SCHEMBL8154589

SCHEMBL8154589

C=CCN(Cc1cc(Br)ccc1OCc1ccccc1)c1ccc(C(=O)OCCCC)nn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 10/20 0.45
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.39
CCR5 P51681 4/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP28 Q96RU2 1/20 0.36
USP25 Q9UHP3 1/20 0.36

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
SCHEMBL8154385 0.87 PTGER1 (0.45) PTGER1CYP1A2LMNACCR5ALDH1A1
SCHEMBL8162300 0.86 PTGER1 (0.51) PTGER1CYP1A2CCR5ALDH1A1USP28
SCHEMBL8168635 0.82 PTGER1 (0.48) PTGER1CYP1A2LMNACCR5ALDH1A1
SCHEMBL7671498 0.82 LMNA (0.41) PTGER1CYP1A2LMNAALDH1A1CYP3A4
SCHEMBL7667879 0.80 SMN1; SMN2 (0.40) PTGER1CYP1A2LMNAALDH1A1CYP3A4
SCHEMBL7816449 0.78 ATM (0.36) PTGER1CYP1A2LMNAALDH1A1CYP3A4
SCHEMBL8155916 0.78 PTGER1 (0.49) PTGER1CYP1A2LMNACCR5ALDH1A1
SCHEMBL4868816 0.78 PTGER1 (0.54) PTGER1CYP1A2CCR5USP28USP25
SCHEMBL9055421 0.78 PTGER1 (0.46) PTGER1CYP1A2LMNACCR5ALDH1A1
SCHEMBL7813030 0.78 ALDH1A1 (0.36) PTGER1CYP1A2LMNACCR5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed