SCHEMBL8987143

SCHEMBL8987143

COC(=O)C(C)(C)CCCCSc1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 12/20 0.54
KDM4E B2RXH2 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPSR1 Q6W5P4 3/20 0.46
RXFP1 Q9HBX9 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
ACACA Q13085 2/20 0.42

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
SCHEMBL8987123 0.89 LTB4R (0.64) LTB4RKDM4EMAPTKMT2AMEN1
SCHEMBL8987008 0.82 KDM4E (0.50) LTB4RKDM4EMAPTKMT2AMEN1
SCHEMBL8987177 0.81 LTB4R (0.82) LTB4R
SCHEMBL8986973 0.80 LTB4R (0.55) LTB4RMAPTKMT2AMEN1ACACA
SCHEMBL11029680 0.79 LTB4R (0.39) LTB4RKDM4EMAPTKMT2AMEN1
SCHEMBL8987393 0.76 LTB4R (0.83) LTB4R
SCHEMBL8987191 0.75 LTB4R (0.49) LTB4RKDM4EMAPTKMT2AMEN1
SCHEMBL8987327 0.75 LTB4R (0.85) LTB4RACACA
SCHEMBL8987282 0.75 LTB4R (0.83) LTB4R
SCHEMBL8987258 0.75 LTB4R (0.71) 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 5 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
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
EP-0224173-B1 STEROIDAL GLYCOLIPIDS AS HOST RESISTANCE STIMULATORS MERCK & CO. INC. (US) 1993-04-28 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed