SCHEMBL16620223

SCHEMBL16620223

CC#CC(CNC(=O)Oc1ccc(C(C)C)c(C)c1)C(C)I

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
FKBP1A P62942 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CARM1 Q86X55 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CASP1 P29466 1/20 0.34

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
SCHEMBL22284790 0.68 TSHR (0.37) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL3904552 0.68 TDP1 (0.58) PLA2G1BTDP1ATG4BFKBP1ACARM1
SCHEMBL11482491 0.66 TDP1 (0.57) PLA2G1BTDP1ATG4BFKBP1ACARM1
SCHEMBL6248013 0.66 TDP1 (0.53) PLA2G1BTDP1ATG4BFKBP1ACARM1
Benzoic Acid SCHEMBL22284789 0.65 TSHR (0.37) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL9946003 0.65 TDP1 (0.54) PLA2G1BTDP1ATG4BFKBP1ACARM1
SCHEMBL20439411 0.64 RAB9A (0.56) PLA2G1BTDP1ATG4BFKBP1ARAB9A
SCHEMBL25729964 0.64 KDM4E (0.47) PLA2G1BTDP1ATG4BFKBP1ASMN1; SMN2
Benzoic Acid SCHEMBL22284792 0.64 CA2 (0.42) TDP1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL26500618 0.63 TDP1 (0.53) PLA2G1BTDP1ATG4BFKBP1ACARM1

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