SCHEMBL10609372

SCHEMBL10609372

CCOc1ccc2c(c1)OC(C)(C)c1[se]nnc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP3A4 P08684 2/20 0.37
▸ APOBEC3G Q9HC16 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ MAOB P27338 7/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL10612462 0.91 ALDH1A1 (0.34) LMNAALDH1A1TDP1POLBNPSR1
SCHEMBL10609817 0.89 GPR55 (0.33) LMNAALDH1A1TDP1POLBNPSR1
SCHEMBL10609346 0.88 THRA (0.39) PDK2
SCHEMBL10608551 0.88 THRA (0.39) PDK2
SCHEMBL10612509 0.88 THRA (0.39) PDK2
SCHEMBL10609633 0.87 CA12 (0.36) ALDH1A1MAOBKDM4E
SCHEMBL10609712 0.87 MEN1 (0.37) LMNAALDH1A1MAOBKMT2AMEN1
SCHEMBL10610772 0.87 LMNA (0.36) LMNAALDH1A1TDP1POLBNPSR1
SCHEMBL10610241 0.87 GPR55 (0.38) LMNAALDH1A1POLBNPSR1HTT
SCHEMBL10613926 0.86 MAPT (0.44) POLBNPSR1HTTMAOBKMT2A

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-4775734-A Non-nucleophilic acid salts of amines as cure accelerators ASHLAND OIL, INC. (US) 1988-10-04 — — US disclosed
EP-0271550-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM ALKALOIDA VEGYéSZETI GYáR (HU) 1988-06-22 — — EP disclosed
WO-1988000197-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES AND COMPOSITIONS CONTAINING THEM ALKALOIDA VEGYE^´SZETI GYA^´R (HU) 1988-01-14 — — WO disclosed
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