SCHEMBL23923673

SCHEMBL23923673

O=C(O)CCCCCCCCCCCCNC(=O)c1ccc(S)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.84
CYP1A2 P05177 1/20 0.68
CYP2C9 P11712 1/20 0.68
CYP2C19 P33261 1/20 0.68
POLB P06746 3/20 0.58
LMNA P02545 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
HDAC6 Q9UBN7 8/20 0.55
HDAC3 O15379 6/20 0.55
HDAC4 P56524 6/20 0.55
HDAC1 Q13547 6/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC2 Q92769 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC8 Q9BY41 6/20 0.55
HDAC9 Q9UKV0 6/20 0.55
HDAC5 Q9UQL6 6/20 0.55
ALDH1A1 P00352 2/20 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
SCHEMBL428355 0.92 MAPK1 (1.00) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL9183154 0.87 MAPK1 (0.90) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL5658185 0.85 MAPK1 (0.87) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL10865398 0.85 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL1231651 0.85 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL10659200 0.85 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL5655215 0.85 MAPK1 (0.86) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL12708569 0.84 ALDH1A1 (0.58) MAPK1POLBHDAC6HDAC3HDAC4
SCHEMBL9717451 0.84 MAPK1 (0.85) MAPK1CYP1A2CYP2C9CYP2C19POLB
SCHEMBL2631253 0.84 MAPK1 (0.84) MAPK1CYP1A2CYP2C9CYP2C19POLB

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-3846864-B1 MEDICAL DEVICE FOR USE IN THE REGENERATION OF AN INJURED NERVE BIO ON SPA (IT) 2023-11-01 EP disclosed
US-20210322633-A1 MEDICAL DEVICE FOR USE IN THE REGENERATION OF AN INJURED NERVE BIO ON S.P.A. (IT) 2021-10-21 US disclosed