SCHEMBL6027676

SCHEMBL6027676

CCCCN(CCCC)c1ccc2ccccc2c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NCEH1 Q6PIU2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ METAP1 P53582 1/20 0.39

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
SCHEMBL12427178 0.85 MEN1 (0.49) ELANEALDH1A1KDM4EHPGDMEN1
SCHEMBL23458369 0.77 ELANE (0.44) ELANEHPGDMEN1CYP1A2KMT2A
SCHEMBL29919660 0.77 ELANE (0.44) ELANEHPGDMEN1CYP1A2KMT2A
SCHEMBL2714269 0.77 KDM4E (0.53) ALDH1A1KDM4EHPGDMEN1CYP1A2
SCHEMBL29862254 0.75 HTR1B (0.50) ELANEALDH1A1KMT2A
SCHEMBL30301305 0.75 HTR1B (0.50) ELANEALDH1A1KMT2A
SCHEMBL1509321 0.75 HTR1B (0.50) ELANEALDH1A1KMT2A
SCHEMBL3223372 0.75 BID (0.50) ALDH1A1KDM4EHPGDMEN1CYP1A2
Ammonia Solution, Strong SCHEMBL7713405 0.74 BID (0.49) ALDH1A1KDM4EHPGDMEN1CYP1A2
SCHEMBL9256709 0.74 BID (0.56) ALDH1A1KDM4EHPGDMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644722-A1 OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2006-04-12 — — EP disclosed
WO-2005001448-A1 OPTIMIZED DETERMINATION OF VOLTAGE CHANGES USING A VOLTAGE-SENSITIVE DYE MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2005-01-06 — — WO disclosed
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