SCHEMBL16986013

SCHEMBL16986013

CCC(C)N(CC)c1ccc(OC)cc1N(CC)CCCC(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
LTA4H P09960 1/20 0.34
CRHR1 P34998 1/20 0.34
MTNR1A P48039 3/20 0.33
MTNR1B P49286 3/20 0.33
MAPT P10636 3/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DYRK1A Q13627 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL17030789 0.86 PDE3B (0.40) ALDH1A1HTTLTA4HMTNR1AMTNR1B
SCHEMBL14013331 0.84 LTA4H (0.40) ALDH1A1HTTLTA4HMTNR1AMTNR1B
SCHEMBL16985198 0.80 ALDH1A1 (0.41) ALDH1A1HTTLTA4HCRHR1MTNR1A
SCHEMBL4275474 0.75 TSHR (0.43) ALDH1A1HTTLTA4HMAPTLMNA
SCHEMBL16985197 0.72 TSHR (0.45) ALDH1A1HTTCRHR1MAPTLMNA
SCHEMBL14038445 0.72 THRA (0.47) ALDH1A1LTA4HMAPTKMT2APDE3B
SCHEMBL2502826 0.71 TSHR (0.44) ALDH1A1HTTMAPTLMNAKMT2A
SCHEMBL22693005 0.70 KMT2A (0.34) ALDH1A1CRHR1MTNR1AMTNR1BMAPT
SCHEMBL27396405 0.69 ALDH1A1 (0.41) ALDH1A1MAPTKMT2ATDP1
SCHEMBL16986038 0.69 HSP90AA1 (0.35) HTTCRHR1MAPTTAS1R3TAS1R1

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
US-9599622-B2 Fluorogenic pH-sensitive dyes and their methods of use (II) Life Technologies Corporation (US) 2017-03-21 US disclosed
US-20150218379-A1 Fluorogenic pH-Sensitive Dyes and Their Methods of Use (II) Life Technologies Corporation 2015-08-06 US disclosed