SCHEMBL30539355

SCHEMBL30539355

OCc1c(-c2ccccc2)c(CCl)c(-c2ccccc2)c(CCl)c1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 3/20 0.45
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BACE1 P56817 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AR P10275 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 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
SCHEMBL12679970 0.89 GCGR (0.52) GCGRTSHRLMNAMAPTHTT
SCHEMBL30671665 0.83 PDE4A (0.39) GCGRLMNAMAPTHTTBACE1
SCHEMBL10320031 0.81 GCGR (0.50) GCGRTSHRLMNAMAPTHTT
SCHEMBL30539358 0.78 GCGR (0.45) GCGRTSHRLMNAMAPTHTT
SCHEMBL29083603 0.72 GCGR (0.41) GCGRTSHRLMNAMAPTHTT
SCHEMBL28260306 0.71 GCGR (0.42) GCGRTSHRLMNAMAPTHTT
SCHEMBL7905342 0.71 GCGR (0.42) GCGRTSHRLMNAMAPTHTT
SCHEMBL7901214 0.71 GCGR (0.42) GCGRTSHRLMNAMAPTHTT
SCHEMBL29126139 0.71 PDE4B (0.42) LMNAMAPTHTTBACE1ALDH1A1
Biphenyl SCHEMBL27598181 0.70 ALDH1A1 (0.60) TSHRLMNAHTTBACE1PTGS1

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
CN-116813666-A Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 — — CN claimed
CN-116813666-A Phosphine ligand compound with benzyl alcohol group and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 — — CN disclosed
CN-116813451-A Substituted benzyl alcohol compound and preparation method and application thereof 中国石油化工股份有限公司 2023-09-29 — — CN disclosed
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