SCHEMBL1458053

SCHEMBL1458053

C=CCS[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.51
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 3/20 0.39
MAPK1 P28482 1/20 0.39
EPHX1 P07099 2/20 0.39
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL1458049 1.00 CYP2C19 (0.51) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL6125635 1.00 CYP2C19 (0.51) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL10584727 0.86 EPHX1 (0.54) CYP2C19CYP2D6LMNAMAPK1EPHX1
Lithium Ion SCHEMBL1457968 0.85 CYP2C19 (0.44) CYP2C19CYP2D6LMNAEPHX1PKM
Lithium Ion SCHEMBL1458160 0.85 CYP2C19 (0.44) CYP2C19CYP2D6LMNAEPHX1PKM
SCHEMBL7556318 0.79 CYP2C19 (0.38) CYP2C19CYP2D6EPHX1PKMSMN1; SMN2
SCHEMBL1565850 0.78 ALDH1A1 (0.38) CYP2D6LMNASMN1; SMN2SLC6A3
SCHEMBL11852807 0.76 EPHX1 (0.47) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL28678702 0.76 CYP2C19 (0.45) CYP2C19CYP2D6SRCLMNAMAPK1
SCHEMBL29279840 0.76 EPHX1 (0.45) CYP2D6SRCLMNAMAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130204238-A1 COMBINATION THERAPY FOLLICA, INC (US) 2013-08-08 US disclosed
EP-2552323-A1 COMBINATION THERAPY Follica, Inc. (US) 2013-02-06 EP disclosed
WO-2012125941-A1 LITHIUM TREATMENT FOR MICROBIAL INFECTIONS FOLLICA, INC. (US) 2012-09-20 WO disclosed
WO-2012067631-A1 BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067630-A1 HAIR GROWTH TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
WO-2012067632-A1 SEQUENTIAL BODY SURFACE TREATMENT FOLLICA, INC. (US) 2012-05-24 WO disclosed
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-2011031977-A1 INTERMITTENT AND PULSE LITHIUM TREATMENTS FOR SCAR REVISION AND WOUND HEALING FOLLICA, INC. (US) 2011-03-17 WO disclosed
WO-2011031990-A1 INTERMITTENT AND PULSE LITHIUM TREATMENTS FOR MODULATING HAIR GROWTH FOLLICA, INC. (US) 2011-03-17 WO disclosed