SCHEMBL9390901

SCHEMBL9390901

CCOC(=O)CCCc1[nH]c2ccccc2c1C(=O)c1ccc(OCCCCCc2ccc(CC3CCCCC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OXER1 Q8TDS5 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
FFAR1 O14842 1/20 0.36
ESR1 P03372 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 2/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL9392943 0.96 LTA4H (0.40) LTA4HKDM4EMEN1KMT2ACYP1A2
SCHEMBL9390908 0.91 LTA4H (0.39) LTA4HCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9391205 0.86 MCL1 (0.45) LTA4HMEN1KMT2ACYP1A2CYP3A4
SCHEMBL9389762 0.85 LTA4H (0.41) LTA4HKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9390776 0.85 FFAR1 (0.47) KDM4EMEN1KMT2AOXER1MTNR1A
SCHEMBL9390873 0.79 OXER1 (0.58) MEN1KMT2AOXER1FFAR1LMNA
SCHEMBL9394480 0.79 OXER1 (0.56) OXER1FFAR1LMNA
SCHEMBL9389793 0.78 SMN1; SMN2 (0.47) LTA4HKDM4EMEN1KMT2ACYP1A2
SCHEMBL9390865 0.77 SMN1; SMN2 (0.42) LTA4HKDM4EMEN1KMT2ACYP1A2
SCHEMBL9391657 0.75 PTGDR2 (0.51) OXER1FFAR1MCL1

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-1994026710-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5α-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 WO disclosed