SCHEMBL7817822

SCHEMBL7817822

Brc1cccc2c3c(oc12)CCCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAPT P10636 6/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ MAOA P21397 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ PNMT P11086 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
SCHEMBL13509570 0.79 MAPK1 (0.46) CYP1A2CYP2C19CYP3A4MAPK1TSHR
SCHEMBL7817025 0.78 CYP3A4 (0.39) CYP1A2CYP2C19CYP3A4MAPK1TSHR
SCHEMBL9105486 0.73 KMT2A (0.46) CYP1A2CYP2C19CYP3A4MAPK1TSHR
SCHEMBL31424235 0.73 KMT2A (0.46) CYP1A2CYP2C19CYP3A4MAPK1TSHR
SCHEMBL7444529 0.73 GFER (0.50) MAPK1HSD17B10MAPTNPSR1ALDH1A1
SCHEMBL29450783 0.73 LOXL2 (0.47) LOXL2RAB9AMAOAKMT2AMAOB
SCHEMBL12093432 0.73 LOXL2 (0.47) LOXL2RAB9AMAOAKMT2AMAOB
SCHEMBL11292287 0.70 MAOA (0.44) CYP1A2CYP2C19CYP3A4MAPK1TSHR
SCHEMBL7246837 0.70 ALDH1A1 (0.35) CYP1A2CYP2C19CYP3A4MAPK1TSHR
SCHEMBL7828085 0.70 HTT (0.39) CYP1A2CYP2C19CYP3A4MAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 — — EP disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 — — US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 — — EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 — — WO disclosed
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