SCHEMBL9539906

SCHEMBL9539906

CC(C)Cc1ccccc1OCc1cccc(C(=O)n2cc(CCCC(=O)O)c3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.46
PTGER4 P35408 4/20 0.46
PTGER3 P43115 4/20 0.46
PTGER2 P43116 4/20 0.46
OXER1 Q8TDS5 1/20 0.45
MCL1 Q07820 2/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BCL2L1 Q07817 1/20 0.39
CFD P00746 1/20 0.39
F11 P03951 1/20 0.39
TPSB2 P20231 1/20 0.39

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
SCHEMBL9369149 0.88 OXER1 (0.45) PTGER1PTGER4PTGER3PTGER2OXER1
SCHEMBL9538300 0.88 FFAR1 (0.46) OXER1MRGPRX4FFAR4
SCHEMBL9369287 0.86 FFAR1 (0.45) OXER1MRGPRX4FFAR4
SCHEMBL9369456 0.84 OXER1 (0.49) OXER1HPGDKDM4EHTR1AHTR1D
SCHEMBL9538924 0.84 OXER1 (0.46) PTGER1PTGER4PTGER3PTGER2OXER1
SCHEMBL9369752 0.82 OXER1 (0.47) OXER1LMNAHPGDKDM4EHTR1A
SCHEMBL9538931 0.81 SRD5A1 (0.46) OXER1LMNAMAPTHPGDKDM4E
SCHEMBL9376615 0.80 MRGPRX4 (0.53) PTGER1PTGER4PTGER3PTGER2OXER1
SCHEMBL9368601 0.80 OXER1 (0.46) OXER1MCL1HPGDFFAR4KDM4E
SCHEMBL9149623 0.79 OXER1 (0.46) OXER1MCL1LMNAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed