SCHEMBL21736797

SCHEMBL21736797

CCCCOc1cc(F)c(CC)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.41
NR5A1 Q13285 1/20 0.40
PLA2G2A P14555 1/20 0.40
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL18646298 0.86 TAAR1 (0.44) PLA2G2ATSHRCYP19A1TAAR1
SCHEMBL4680955 0.85 LTA4H (0.42) LTA4HNR5A1PLA2G2ARARARARB
SCHEMBL22657518 0.85 LTA4H (0.39) LTA4HNR5A1PLA2G2ARARARARB
SCHEMBL18418754 0.82 TAAR1 (0.36) TAAR1
SCHEMBL15985644 0.82 LTA4H (0.42) LTA4HNR5A1PLA2G2ARARARARB
SCHEMBL19398046 0.81 NQO1 (0.44) LTA4HCYP3A4TSHRTAAR1
SCHEMBL28694786 0.80 PLA2G2A (0.38) LTA4HPLA2G2ARARARARBHTT
SCHEMBL22323256 0.80 TSHR (0.43) LTA4HNR5A1PLA2G2ARARARARB
SCHEMBL14887194 0.80 LTA4H (0.41) LTA4HNR5A1PLA2G2ARARARARB
SCHEMBL7094266 0.79 PLA2G2A (0.47) LTA4HNR5A1PLA2G2ATSHR

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-3611165-B1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-08-16 EP disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed