SCHEMBL10668963

SCHEMBL10668963

CCCCCCCCCCc1ccc(/N=C2/S/C(=C\C(=O)O)C(=O)N2c2ccc(CCCCCCCCCC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 2/20 0.46
▸ FAAH O00519 3/20 0.45
▸ MGLL Q99685 1/20 0.45
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PLA2G1B P04054 5/20 0.40
▸ ATG4B Q9Y4P1 5/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10668970 1.00 AURKA (0.46) AURKAFAAHMGLLMEN1KMT2A
SCHEMBL10668048 0.81 FAAH (0.56) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10667434 0.74 LMNA (0.55) FAAHALDH1A1S1PR1S1PR3MAPT
SCHEMBL10667429 0.74 LMNA (0.55) FAAHALDH1A1S1PR1S1PR3MAPT
SCHEMBL10665686 0.70 FAAH (0.42) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666243 0.69 S1PR1 (0.48) FAAHALDH1A1S1PR1S1PR3MAPT
SCHEMBL12297882 0.68 FAAH (0.54) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10660629 0.68 FAAH (0.48) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295254 0.67 FAAH (0.64) AURKAFAAHMEN1KMT2AALDH1A1
SCHEMBL10668341 0.66 FAAH (0.44) FAAHMEN1KMT2AALDH1A1NPSR1

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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US claimed
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