SCHEMBL9719038

SCHEMBL9719038

CCCOc1c(Br)cccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 6/20 0.51
▸ MAPT P10636 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42

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
SCHEMBL10209516 0.85 SMN1; SMN2 (0.52) SMN1; SMN2HPGDMEN1KMT2AHTT
SCHEMBL21991382 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL31096135 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL21823680 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL13813328 0.80 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL7942502 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL27825522 0.79 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL29732515 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL1627615 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL12440953 0.78 KDM4E (0.42) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257921-B1 NEW 1,3-DIARYL CYCLOPENTANES AND DERIVATIVES THEREOF AS PAF ANTAGONISTS MERCK & CO. INC. (US) 1992-04-15 — — EP disclosed
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