SCHEMBL8987008

SCHEMBL8987008

COC(=O)CCCCCCCSc1cc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LTB4R Q15722 5/20 0.50
MAPT P10636 5/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ACACA Q13085 2/20 0.49
NPSR1 Q6W5P4 4/20 0.48
RXFP1 Q9HBX9 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
PRNP P04156 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
FAAH O00519 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL8987191 0.84 LTB4R (0.49) KDM4ELTB4RMAPTKMT2AMEN1
SCHEMBL8987143 0.82 LTB4R (0.54) KDM4ELTB4RMAPTKMT2AMEN1
SCHEMBL8987123 0.79 LTB4R (0.64) KDM4ELTB4RMAPTKMT2AMEN1
SCHEMBL20545180 0.72 HDAC1 (0.65) KDM4ELTB4RKMT2AMEN1ALDH1A1
SCHEMBL12685572 0.72 HDAC1 (0.65) KDM4ELTB4RKMT2AMEN1ALDH1A1
SCHEMBL20545187 0.72 ALDH1A1 (0.56) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL20544596 0.71 HDAC1 (0.62) KDM4EKMT2AMEN1ALDH1A1LMNA
SCHEMBL432515 0.71 ALDH1A1 (0.57) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL20545001 0.70 HTT (0.65) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL20545268 0.70 LMNA (0.65) KDM4EMAPTKMT2ANPSR1LMNA

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 4 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
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