SCHEMBL332916

SCHEMBL332916

C[C@]12CC[C@@H](OS(=O)(=O)O[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)C(=O)CC[C@@H]54)C3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.83
ALDH1A1 P00352 1/20 0.70
TP53 P04637 1/20 0.70
MAPT P10636 1/20 0.70
GRIN1 Q05586 1/20 0.65
GRIN2B Q13224 1/20 0.65
G6PD P11413 5/20 0.65
GPBAR1 Q8TDU6 4/20 0.65
LMNA P02545 3/20 0.65
CYP3A4 P08684 3/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SHBG P04278 2/20 0.65
SERPINA6 P08185 2/20 0.65
HSD17B3 P37058 2/20 0.65
PMP22 Q01453 1/20 0.65
AKR1B10 O60218 1/20 0.65
AKR1B1 P15121 1/20 0.65
CYP2D6 P10635 1/20 0.65
TSHR P16473 1/20 0.65

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
SCHEMBL19733251 0.93 MAPK1 (0.72) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL136323 0.91 GRIN1 (0.80) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL7992486 0.91 MAPK1 (1.00) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL2079281 0.91 GRIN1 (0.80) MAPK1ALDH1A1TP53MAPTGRIN1
Potassium Ion SCHEMBL7978577 0.91 MAPK1 (0.96) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL8581388 0.91 GRIN1 (0.80) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL7989329 0.91 MAPK1 (1.00) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL7869703 0.91 GRIN1 (0.80) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL6437139 0.91 MAPK1 (1.00) MAPK1ALDH1A1TP53MAPTGRIN1
SCHEMBL17006955 0.91 GRIN1 (0.80) MAPK1ALDH1A1TP53MAPTGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8096199-B2 Sampler and method of sampling CONOPCO INC. (US) 2012-01-17 US disclosed
EP-2109762-B1 SAMPLER AND METHOD OF SAMPLING UNILEVER PLC (GB) 2011-09-28 EP disclosed
EP-2109762-A1 SAMPLER AND METHOD OF SAMPLING Unilever PLC (GB) 2009-10-21 EP disclosed
WO-2008095962-A1 SAMPLER AND METHOD OF SAMPLING UNILEVER PLC (GB) 2008-08-14 WO disclosed
US-20080190218-A1 Sampler and method of sampling CONOPCO INC, D/B/A UNILEVER 2008-08-14 US disclosed
EP-1881836-A1 METHOD FOR PREPARING AND USING WATER-BASED STEROID PHEROMONE COMPOSITIONS Phero Tech Inc. (CA) 2008-01-30 EP disclosed
WO-2006119604-A1 METHOD FOR PREPARING AND USING WATER-BASED STEROID PHEROMONE COMPOSITIONS PHERO TECH INC. (CA) 2006-11-16 WO disclosed
US-20060252738-A1 Method for preparing and using water-based steroid pheromone compositions PHERO TECH INC. (CA) 2006-11-09 US disclosed