SCHEMBL9166486

SCHEMBL9166486

CCCCCCCC(=CC(=O)c1c(CCCC(=O)O)[nH]c2ccccc12)CCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.67
MAPT P10636 2/20 0.44
EGFR P00533 1/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL9160699 0.85 OXER1 (0.91) OXER1MAPTEGFRALDH1A1MEN1
SCHEMBL9165525 0.85 OXER1 (0.91) OXER1MAPTEGFRALDH1A1MEN1
SCHEMBL9164420 0.85 OXER1 (0.91) OXER1MAPTEGFRALDH1A1MEN1
SCHEMBL9160837 0.85 OXER1 (0.91) OXER1MAPTEGFRALDH1A1MEN1
SCHEMBL9164485 0.84 OXER1 (0.66) OXER1MAPTALDH1A1HPGDKDM4E
SCHEMBL9169103 0.84 OXER1 (0.66) OXER1MAPTALDH1A1HPGDKDM4E
SCHEMBL9165518 0.81 OXER1 (0.45) OXER1MAPTGSK3BALDH1A1TDP1
SCHEMBL286749 0.81 OXER1 (1.00) OXER1EGFRGAAALDH1A1HPGD
SCHEMBL9267825 0.79 OXER1 (0.84) OXER1MAPTMEN1KMT2A
SCHEMBL9162541 0.79 OXER1 (0.69) OXER1MAPTEGFRGSK3BALDH1A1

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-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed