SCHEMBL28038245

SCHEMBL28038245

CC(C)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 8/20 0.80
▸ MCL1 Q07820 7/20 0.80
▸ BCL2 P10415 6/20 0.80
▸ RPA1 P27694 5/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ PPP1CA P62136 2/20 0.57
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ MARS1 P56192 1/20 0.54

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
SCHEMBL28180312 0.89 MDM2 (0.81) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL3139245 0.79 RPA1 (1.00) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL9056282 0.79 RPA1 (0.90) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL20785644 0.78 PPP1CA (0.68) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL28038232 0.78 BCL2 (0.65) MDM2MCL1BCL2RPA1SMN1; SMN2
SCHEMBL695352 0.76 RPA1 (1.00) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL1514335 0.75 RPA1 (0.80) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL4500796 0.75 L3MBTL1 (1.00) MDM2MCL1BCL2RPA1L3MBTL1
SCHEMBL1514681 0.75 L3MBTL1 (0.89) RPA1L3MBTL1SMN1; SMN2PPP1CAMEN1
SCHEMBL28038265 0.75 MDM2 (0.82) MDM2MCL1BCL2RPA1SMN1; SMN2

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-105061315-A 1, 5-diphenylpyrazole-3-carboxylic acid compounds and application thereof UNIV DALIAN TECH 2015-11-18 — — CN claimed
CN-105061315-B 1, 5-diphenylpyrazole-3-carboxylic acid compounds and application thereof 大连理工大学 2017-10-24 — — CN disclosed
CN-105061315-A 1, 5-diphenylpyrazole-3-carboxylic acid compounds and application thereof UNIV DALIAN TECH 2015-11-18 — — CN disclosed
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