SCHEMBL13837705

SCHEMBL13837705

CCCc1ccc(N(CCO)CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
ESRRG P62508 2/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
SLCO1B3 Q9NPD5 1/20 0.40

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
SCHEMBL30081514 0.89 CA1 (0.47) ESR1ALDH1A1MAPTGMNNLMNA
SCHEMBL11792373 0.85 ESR1 (0.55) LPLLIPGESR1ALDH1A1LMNA
SCHEMBL13223076 0.85 AOC3 (0.49) ESRRGALDH1A1MAPTLMNATSHR
SCHEMBL5713046 0.84 ESRRG (0.50) ESR1ESR2ESRRGALDH1A1MAPT
SCHEMBL13223078 0.84 ESRRG (0.45) ESRRGALDH1A1MAPTGMNNLMNA
SCHEMBL43229 0.83 LPL (0.40) LPLLIPGESRRGALDH1A1MAPT
SCHEMBL14304360 0.82 AOC3 (0.53) ESRRGALDH1A1MAPTLMNATSHR
SCHEMBL15127586 0.82 ESRRG (0.49) ESR1ESRRGALDH1A1MAPTGMNN
SCHEMBL2759055 0.82 ALDH1A1 (0.43) ESRRGALDH1A1MAPTCYP2D6TSHR
SCHEMBL19822972 0.80 CYP2D6 (0.48) ESR1ALDH1A1MAPTGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120296005-A1 MEDICAL RESIN COMPOSITION, MANUFACTURING PROCESS THEREFOR AND MEDICAL KIT NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2012-11-22 US disclosed