SCHEMBL14616015

SCHEMBL14616015

C[C@@H](CCO)OC(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
POLB P06746 1/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
NPC1 O15118 3/20 0.51
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
F2 P00734 1/20 0.45
MBTD1 Q05BQ5 1/20 0.44

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
SCHEMBL1784136 0.91 TSHR (0.57) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL19872832 0.90 ALDH1A1 (0.51) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL13866351 0.88 ALDH1A1 (0.54) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL13866325 0.88 ALDH1A1 (0.54) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL443825 0.86 ALDH1A1 (0.54) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL525077 0.85 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1926470 0.85 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL14043459 0.85 TSHR (0.47) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL7620696 0.84 LMNA (0.51) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL8946971 0.84 LMNA (0.51) LMNACYP1A2CYP2D6POLBSCN1A

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-20070037206-A1 Polypeptide of given sequence and antibodies that bind; gene expression; treatment of muscular dystrophy and cystic fibrosis HUMAN GENOME SCIENCES, INC. 2007-02-15 US disclosed