SCHEMBL16620225

SCHEMBL16620225

CC#CC(CNC(=O)O)C(C)I.Cc1cc(O)ccc1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
S1PR1 P21453 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ESRRB O95718 1/20 0.30
ESRRG P62508 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL16620223 0.80 PLA2G1B (0.41) MEN1KMT2ANPSR1RXFP1
SCHEMBL309217 0.79 CYP2D6 (0.47) CYP2D6CYP2C19
Benzoic Acid SCHEMBL22284789 0.74 TSHR (0.37) CYP2D6CYP2C19MEN1KMT2A
Benzoic Acid SCHEMBL22284792 0.72 CA2 (0.42) CYP2D6CYP2C19MEN1KMT2A
SCHEMBL3654593 0.71 ADRA2A (0.43) ESR1ESR2CYP2D6CYP2C19ESRRB
SCHEMBL29366027 0.70 HTR2B (0.50) ESR1ESR2
SCHEMBL133674 0.70 HTR2B (0.50) ESR1ESR2
SCHEMBL29392902 0.70 IDO1 (0.30) CYP2D6CYP2C19
SCHEMBL27564626 0.68 HTR2B (0.48) ESR1ESR2
Hydrochloric Acid SCHEMBL7078662 0.68 HTR2B (0.48) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019016493-A1 COMPOSITION COSMETIC WARRIORS LIMITED (GB) 2019-01-24 WO disclosed
EP-3285739-A1 COMPOSITION Cosmetic Warriors Limited (GB) 2018-02-28 EP disclosed
WO-2016170339-A1 COMPOSITION COSMETIC WARRIORS LIMITED (GB) 2016-10-27 WO disclosed
EP-3052200-A1 COMPOSITION Cosmetic Warriors Ltd (GB) 2016-08-10 EP disclosed
WO-2015049506-A1 COMPOSITION COSMETIC WARRIORS LIMITED (GB) 2015-04-09 WO disclosed