SCHEMBL9628208

SCHEMBL9628208

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.46
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
MGAM O43451 4/20 0.41
GAA P10253 4/20 0.41
SI P14410 4/20 0.41
MGAM2 Q2M2H8 4/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 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

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
SCHEMBL9627504 0.83 SLC2A1 (0.44) ERN1MGAMGAASIMGAM2
SCHEMBL17912856 0.79 SLC2A1 (0.52) GAA
SCHEMBL9660314 0.78 MTNR1A (0.49) MTNR1AMTNR1BALDH1A1RAB9ATUBB4A
SCHEMBL9657079 0.76 HIF1A (0.50) ERN1GAAKDM4ENPC1ALDH1A1
SCHEMBL9659306 0.76 MTNR1A (0.45) MTNR1AMTNR1BGAAALDH1A1RAB9A
SCHEMBL9627467 0.75 TUBB4A (0.45) ERN1MTNR1AMTNR1BMGAMGAA
SCHEMBL9628336 0.74 CNR1 (0.46) GAAKDM4EALDH1A1
SCHEMBL28051262 0.74 MTNR1A (0.50) MTNR1AMTNR1BMGAMGAASI
SCHEMBL17131594 0.74 BCHE (0.48) ERN1MTNR1AMTNR1BGAAKDM4E
SCHEMBL17131593 0.74 CA12 (0.63) MTNR1AMTNR1BALDH1A1TUBB4ATUBB

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 5 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
US-5089657-A Topical antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed
EP-0282056-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1988-09-14 EP 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