SCHEMBL30639791

SCHEMBL30639791

Cc1cc(=O)[nH]c2ccc(CC(=O)O)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 6/20 0.68
▸ KDM4E B2RXH2 6/20 0.68
▸ ALDH1A1 P00352 6/20 0.68
▸ MAPT P10636 4/20 0.68
▸ HSD17B10 Q99714 4/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ LMNA P02545 2/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ PPARG P37231 5/20 0.50
▸ GAA P10253 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CDC25A P30304 1/20 0.50
▸ CDC25B P30305 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ AR P10275 1/20 0.47

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
SCHEMBL20424627 1.00 HPGD (0.68) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL2056350 0.80 LMNA (0.59) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1684557 0.79 KDM4E (0.70) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL3799234 0.79 HPGD (0.60) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31324205 0.79 KDM4E (0.81) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL6714833 0.79 LMNA (0.56) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL22728223 0.78 KDM4E (0.77) HPGDKDM4EALDH1A1MAPTHSD17B10
Water SCHEMBL11335239 0.77 LMNA (0.55) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL6716459 0.77 KDM4E (0.52) HPGDKDM4EALDH1A1MAPTHSD17B10
SCHEMBL17505205 0.76 LMNA (0.54) HPGDKDM4EALDH1A1MAPTHSD17B10

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
EP-4504701-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) SUBFAMILY BROMODOMAIN 1 (BD1) SELECTIVE INHIBITORS AND METHODS USING SAME Baylor College of Medicine (US) 2025-02-12 — — EP disclosed
WO-2023196455-A1 BROMODOMAIN AND EXTRA-TERMINAL (BET) SUBFAMILY BROMODOMAIN 1 (BD1) SELECTIVE INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2023-10-12 — — WO disclosed
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