SCHEMBL9660314

SCHEMBL9660314

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.49
MTNR1B P49286 5/20 0.49
PLA2G2A P14555 1/20 0.41
ACACB O00763 3/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9659306 0.88 MTNR1A (0.45) MTNR1AMTNR1BPLA2G2ATUBB4ATUBB
SCHEMBL9659363 0.86 SLC2A1 (0.44) MTNR1AMTNR1BSMN1; SMN2MAPTRAB9A
SCHEMBL9659324 0.81 CNR1 (0.44) MTNR1AMTNR1BSMN1; SMN2MAPTRAB9A
SCHEMBL9628208 0.78 ERN1 (0.46) MTNR1AMTNR1BTUBB4ATUBBTUBA3C
SCHEMBL9714009 0.77 MAPT (0.46) MTNR1AMTNR1BMAPT
SCHEMBL9660042 0.76 SMN1; SMN2 (0.43) MTNR1AMTNR1BSMN1; SMN2MAPTRAB9A
SCHEMBL10628942 0.76 PDE4D (0.41) MTNR1AMTNR1BL3MBTL1ALDH1A1
SCHEMBL9660068 0.76 SLC2A1 (0.44) MAPTRAB9A
SCHEMBL9658273 0.75 ELANE (0.44) MTNR1AMTNR1BPLA2G2ASMN1; SMN2MAPT
SCHEMBL9629305 0.74 HTT (0.50) MTNR1AMTNR1BTUBB4ATUBBTUBA3C

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