SCHEMBL28024007

SCHEMBL28024007

COc1ccc(-c2cc(C(=O)O)n(CC(O)COc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ PRMT5 O14744 2/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ MARS1 P56192 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL27677824 0.95 MARS1 (0.46) LMNAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL27677861 0.91 CYP1A2 (0.46) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL28760197 0.91 CYP1A2 (0.49) LMNAKMT2AMEN1MAPK1SMN1; SMN2
SCHEMBL8889722 0.72 MAPT (0.70) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL8368086 0.71 MAPT (0.61) MAPTLMNAKMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL4716157 0.70 GABRA1 (0.51) MAPTLMNACYP2D6ALDH1A1HTT
Hydrochloric Acid SCHEMBL8370004 0.70 MAPT (0.60) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL14180952 0.70 CNR1 (0.47) MAPTLMNAKMT2AMEN1MAPK1
SCHEMBL2730926 0.70 PHGDH (0.59) MAPTLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL28024005 0.69 MAPT (0.62) MAPTLMNASMN1; SMN2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104814956-A Use of ethyl (S)-1-(3-p-chlorophenoxy-2-hydroxypropyl)-3-p-methoxyphenyl-1H-pyrazolyl-5-carboxylate in pharmacy UNIV SHANDONG 2015-08-05 — — CN claimed
CN-104814956-A Use of ethyl (S)-1-(3-p-chlorophenoxy-2-hydroxypropyl)-3-p-methoxyphenyl-1H-pyrazolyl-5-carboxylate in pharmacy UNIV SHANDONG 2015-08-05 — — CN disclosed
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