SCHEMBL6559575

SCHEMBL6559575

C=CCCCC(C=C)NC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2C Q5R387 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 4/20 0.36
▸ USP2 O75604 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ABCC4 O15439 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33

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
SCHEMBL5818367 0.81 PLA2G2C (0.46) PLA2G2CALDH1A1MAPTCTSK
SCHEMBL11523628 0.79 PLA2G2C (0.39) PLA2G2CALDH1A1MAPTSMN1; SMN2CYP3A4
SCHEMBL24629598 0.77 ALDH1A1 (0.35) PLA2G2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL22563673 0.76 PLA2G2C (0.43) PLA2G2CALDH1A1LMNAMAPTUSP2
SCHEMBL11296644 0.74 — —
SCHEMBL6562004 0.73 MAPT (0.46) ALDH1A1LMNAMAPTUSP2SMN1; SMN2
Carbamic Acid SCHEMBL8213815 0.73 MAPT (0.42) PLA2G2CALDH1A1LMNAMAPTUSP2
Carbamic Acid SCHEMBL8216451 0.73 MAPT (0.42) PLA2G2CALDH1A1LMNAMAPTUSP2
SCHEMBL28354564 0.72 KDM4E (0.33) PLA2G2CALDH1A1MAPTSMN1; SMN2RECQL
SCHEMBL3777018 0.70 GNPAT (0.49) PLA2G2CALDH1A1LMNAMAPTUSP2

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
EP-0990641-B1 Process for the synthesis of alpha-substituted ring systems BAYER CHEMICALS AG (DE) 2004-03-17 — — EP disclosed
US-6235925-B1 RING CLOSURE METHATHESIS AND NOBLE METAL CATALYSTS BAYER AKTIENGESELLSCHAFT (DE) 2001-05-22 — — US disclosed
EP-0990641-A1 Process for the synthesis of alpha-substituted ring systems Bayer Aktiengesellschaft (DE) 2000-04-05 — — EP disclosed
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