SCHEMBL8987121

SCHEMBL8987121

COC(=O)C(C)(C)CCCCOc1cc(-c2ccc(Cl)cc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.48
CNR1 P21554 1/20 0.43
SLC13A5 Q86YT5 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAP4K4 O95819 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL8987495 0.88 LTB4R (0.57) LTB4R
SCHEMBL8987127 0.88 LTB4R (0.61) LTB4RSLC13A5PPARA
SCHEMBL8987200 0.81 LTB4R (0.72) LTB4R
SCHEMBL8986992 0.77 LTB4R (0.70) LTB4RPPARA
SCHEMBL8987213 0.76 LTB4R (0.83) LTB4R
SCHEMBL8987112 0.73 LTB4R (0.64) LTB4R
SCHEMBL8987197 0.73 LTB4R (0.81) LTB4R
SCHEMBL8987428 0.72 LTB4R (0.81) LTB4R
SCHEMBL8987519 0.72 LTB4R (0.62) LTB4R
SCHEMBL8987120 0.72 LTB4R (0.81) LTB4R

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed