SCHEMBL9659306

SCHEMBL9659306

CCCOc1cc(OC)c(OC(=O)NC)c2ccc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.45
MTNR1B P49286 4/20 0.45
PLA2G2A P14555 1/20 0.40
PLK1 P53350 1/20 0.39
TUBB1 Q9H4B7 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9660314 0.88 MTNR1A (0.49) MTNR1AMTNR1BPLA2G2ATUBB1TUBB4A
SCHEMBL9659895 0.87 SLC2A1 (0.42) PLK1SMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL9659348 0.80 ALDH1A1 (0.44) PLK1MAPTRAB9AMEN1GAA
SCHEMBL9659126 0.77 ALDH1A1 (0.45) PLK1SMN1; SMN2MAPTRAB9AL3MBTL1
SCHEMBL9659545 0.77 HSD17B10 (0.42) RAB9AGAAKMT2AALDH1A1
SCHEMBL9660373 0.77 HSD17B10 (0.43) PLK1MAPTGAAALDH1A1
SCHEMBL9628208 0.76 ERN1 (0.46) MTNR1AMTNR1BTUBB1TUBB4ATUBB
SCHEMBL9659363 0.74 SLC2A1 (0.44) MTNR1AMTNR1BSMN1; SMN2MAPTRAB9A
SCHEMBL9660007 0.74 ABCB11 (0.50) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9660000 0.73 ABCB11 (0.44) SMN1; SMN2MAPTMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155132-A Nonsteroidal antiinflammatory agents; treating psoriasis SYNTEX (U.S.A.) INC. (US) 1992-10-13 US disclosed
EP-0282006-A1 Naphtalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP disclosed
US-4758587-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-07-19 US disclosed