SCHEMBL9390897

SCHEMBL9390897

COCOc1ccc(C(=O)c2c(CCCC(=O)O)[nH]c3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.52
PPARA Q07869 1/20 0.45
SERPINE1 P05121 1/20 0.43
EGFR P00533 1/20 0.42
MAPT P10636 1/20 0.41
MCL1 Q07820 5/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM7A Q6ZMT4 1/20 0.38
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 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
SCHEMBL9389793 0.88 SMN1; SMN2 (0.47) OXER1MAPTMCL1MEN1KMT2A
SCHEMBL9394506 0.87 OXER1 (0.40) OXER1MAPTMCL1MEN1KMT2A
SCHEMBL9374299 0.84 MCL1 (0.54) EGFRMCL1KDM4EALDH1A1
SCHEMBL9394480 0.81 OXER1 (0.56) OXER1PPARASERPINE1SRD5A2
SCHEMBL9390873 0.81 OXER1 (0.58) OXER1PPARASERPINE1MEN1KMT2A
SCHEMBL9391657 0.79 PTGDR2 (0.51) OXER1PPARASERPINE1MCL1
SCHEMBL9389753 0.79 OXER1 (0.48) OXER1PPARASERPINE1SRD5A2
SCHEMBL9390776 0.77 FFAR1 (0.47) OXER1PPARASERPINE1MEN1KMT2A
SCHEMBL9596890 0.77 SRD5A2 (0.51) OXER1PPARAEGFRMAPTMEN1
SCHEMBL31453280 0.77 CNR2 (0.58) OXER1TUBB4ATUBBTUBA3CTUBA1B

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-1994018168-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-08-18 WO disclosed