SCHEMBL9227142

SCHEMBL9227142

CCCC(CC(=O)O)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.32
CPT2 P23786 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
BBOX1 O75936 1/20 0.30

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
SCHEMBL9437219 0.86 TDP1 (0.40) FFAR1CPT2TDP1TSHR
SCHEMBL11609797 0.86 TDP1 (0.40) FFAR1CPT2TDP1TSHR
SCHEMBL5997470 0.86 TDP1 (0.40) FFAR1CPT2TDP1TSHR
SCHEMBL2842151 0.85 FFAR1 (0.32) FFAR1CPT2TDP1HMGCRCHRM1
SCHEMBL5469576 0.80 LMNA (0.33) FFAR1CPT2TDP1CYP2D6TSHR
SCHEMBL5997223 0.78 TERT (0.47) TDP1CHRM1TBXA2RCYP2C19
SCHEMBL15065991 0.76 CES2 (0.39)
SCHEMBL2842930 0.74 BBOX1 (0.31) HMGCRCHRM1TBXA2RADRA1ABBOX1
SCHEMBL18957546 0.72 BBOX1 (0.37) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL20853667 0.71 CES2 (0.41)

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
US-5468492-A Plant extract for treatment of hair loss BIOGAL GYOGYSZERGYAR RT (HU) 1995-11-21 US claimed
EP-0497952-A1 COMPOSITION FOR THE TOPICAL TREATMENT OF PSORIASIS BIOGAL GYOGYSZERGYAR RT. (HU) 1992-08-12 EP claimed
WO-1992003142-A1 COMPOSITION FOR THE TOPICAL TREATMENT OF PSORIASIS BIOGAL Gyógyszergyár Rt. (HU) 1992-03-05 WO claimed
US-5468492-A Plant extract for treatment of hair loss BIOGAL GYOGYSZERGYAR RT (HU) 1995-11-21 US disclosed
EP-0497952-A1 COMPOSITION FOR THE TOPICAL TREATMENT OF PSORIASIS BIOGAL GYOGYSZERGYAR RT. (HU) 1992-08-12 EP disclosed
WO-1992003142-A1 COMPOSITION FOR THE TOPICAL TREATMENT OF PSORIASIS BIOGAL Gyógyszergyár Rt. (HU) 1992-03-05 WO disclosed