SCHEMBL1458161

SCHEMBL1458161

C=CC[C@@H](C(=O)O)c1ccccc1.[LiH]

nearest known ligand 0.96

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.96
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.42
EPHX1 P07099 1/20 0.42
CPN1 P15169 1/20 0.41
CPB2 Q96IY4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL1457969 1.00 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
SCHEMBL1458050 0.98 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
SCHEMBL666893 0.98 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
SCHEMBL1458057 0.98 CYP2C19 (1.00) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
SCHEMBL10959538 0.96 CYP2C19 (0.96) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
Methyl Alcohol SCHEMBL11775681 0.94 CYP2C19 (0.93) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
SCHEMBL5156636 0.87 CYP2C19 (0.80) CYP2C19LMNA
SCHEMBL5371218 0.86 CYP2C19 (0.79) CYP2C19CYP2D6SRCPOLBSMN1; SMN2
SCHEMBL8624668 0.85 CYP2C19 (0.71) CYP2C19CYP2D6SMN1; SMN2LMNAMAPK1
SCHEMBL8620344 0.85 CYP2C19 (0.71) CYP2C19CYP2D6SMN1; SMN2LMNAMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123218-A1 COMBINATION THERAPY FOLLICA, INC. (US) 2011-10-06 WO disclosed
US-20110130748-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130711-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
US-20110130706-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2011-06-02 US disclosed
WO-2011031990-A1 INTERMITTENT AND PULSE LITHIUM TREATMENTS FOR MODULATING HAIR GROWTH FOLLICA, INC. (US) 2011-03-17 WO disclosed
WO-2011031977-A1 INTERMITTENT AND PULSE LITHIUM TREATMENTS FOR SCAR REVISION AND WOUND HEALING FOLLICA, INC. (US) 2011-03-17 WO disclosed