SCHEMBL24938412

SCHEMBL24938412

COc1ccc(C(=O)OCCCC=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.53
ESR1 P03372 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.52
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51

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
SCHEMBL27824110 0.88 SMN1; SMN2 (0.64) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL13256587 0.86 SMN1; SMN2 (0.62) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL516998 0.85 LMNA (0.72) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL11985689 0.84 MAPT (0.73) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL20073174 0.83 SMN1; SMN2 (0.59) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL12532606 0.83 SMN1; SMN2 (0.59) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL1925920 0.82 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL18668887 0.82 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPC1RAB9ACA1
SCHEMBL1987834 0.82 TSHR (0.68) MAPTSMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL22283522 0.82 NPC1 (0.51) MAPTSMN1; SMN2NPC1RAB9ACA1

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
EP-4119539-A1 PRODRUGS OF GAMMA-HYDROXYBUTYRIC ACID, COMPOSITIONS AND USES THEREOF XWPharma Ltd. (KY) 2023-01-18 EP disclosed