SCHEMBL5093581

SCHEMBL5093581

O=C(C=Cc1ccccc1C(=O)O)c1cccc(Br)c1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ LMNA P02545 3/20 0.50
▸ ATM Q13315 3/20 0.50
▸ CYP1B1 Q16678 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ ALPG P10696 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ RELA Q04206 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 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
SCHEMBL5093574 0.85 MAPT (0.49) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL9319237 0.83 MAPT (0.58) MAPTALDH1A1LMNACYP1B1KMT2A
SCHEMBL6311040 0.83 MAPT (0.58) MAPTALDH1A1LMNACYP1B1KMT2A
SCHEMBL21647109 0.81 AR (0.65) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL21647108 0.81 AR (0.65) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL29837038 0.81 AR (0.65) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL28387971 0.80 MAPT (0.52) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL9893358 0.79 CYP1B1 (0.69) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL9893359 0.79 CYP1B1 (0.69) MAPTALDH1A1LMNAATMCYP1B1
SCHEMBL7583119 0.77 CA1 (0.46) MAPTLMNAATMCYP1B1KMT2A

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
WO-2008035086-A2 SYNTHESIS OF LEUKOTRIENE COMPOUNDS ALMAC SCIENCES LIMITED (GB) 2008-03-27 — — WO disclosed
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