SCHEMBL10470232

SCHEMBL10470232

CC(C=CCO)Oc1ccc(Oc2cnc3cc(F)ccc3n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 8/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GMNN O75496 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ RAB9A P51151 3/20 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
SCHEMBL10470231 1.00 HTT (0.46) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9472588 0.87 ALDH1A1 (0.56) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10469282 0.87 ALDH1A1 (0.41) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL9472585 0.87 ALDH1A1 (0.56) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10469281 0.87 ALDH1A1 (0.41) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10469462 0.86 PPARG (0.37) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL10469461 0.86 PPARG (0.37) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL11008454 0.83 HTT (0.51) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7898481 0.83 HTT (0.51) HTTL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7892702 0.82 ALDH1A1 (0.44) HTTL3MBTL1MEN1KMT2AALDH1A1

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-4976772-A POSTEMERGENT CONTROL OF GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-12-11 — — US claimed
US-4976772-A POSTEMERGENT CONTROL OF GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-12-11 — — US disclosed
US-4900354-A CONTROLLING GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1990-02-13 — — US disclosed
Send feedback