SCHEMBL9528302

SCHEMBL9528302

O=C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)NCCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.67
LTA4H P09960 6/20 0.67
PLA2G2A P14555 6/20 0.67
SIRT2 Q8IXJ6 1/20 0.65
POLB P06746 1/20 0.62
MTNR1A P48039 2/20 0.62
MTNR1B P49286 2/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
HTR1D P28221 1/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC10 Q969S8 1/20 0.57

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
SCHEMBL7723651 0.86 TRPM8 (0.78) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL7731853 0.85 TRPM8 (0.77) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL19427650 0.84 KMT2A (0.58) TRPM8LTA4HPLA2G2APOLBMTNR1A
SCHEMBL4490807 0.84 PPARG (0.71) TRPM8LTA4HPLA2G2APOLBMEN1
SCHEMBL6923780 0.84 MTNR1A (0.82) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL19051463 0.84 TRPM8 (0.68) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL8206907 0.83 TRPM8 (0.73) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL30176255 0.82 LTA4H (0.64) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL853597 0.82 LTA4H (0.64) TRPM8LTA4HPLA2G2ASIRT2POLB
SCHEMBL18222539 0.82 TRPM8 (0.75) TRPM8LTA4HPLA2G2ASIRT2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548250-A4 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY 1993-10-27 EP disclosed
EP-0548250-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY. RHONE POULENC RORER INT (US) 1993-06-30 EP disclosed
WO-1992004321-A1 SUBSTITUTED BICYCLIC ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-03-19 WO disclosed