SCHEMBL6568093

SCHEMBL6568093

CCC(OC(=O)c1ccccc1N)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.55
HSD17B10 Q99714 9/20 0.55
CFTR P13569 1/20 0.51
KDM4E B2RXH2 8/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 5/20 0.47
TSHR P16473 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 2/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL28683319 0.88 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL226267 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EPOLBHPGD
SCHEMBL28423193 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL9499054 0.82 KMT2A (0.47) ALDH1A1KDM4EHPGDTP53L3MBTL1
SCHEMBL28280199 0.81 ALDH1A1 (0.62) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL11482389 0.80 ALDH1A1 (0.43) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL8546366 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL3110030 0.80 ALDH1A1 (0.60) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL446802 0.80 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRKDM4EPOLB
SCHEMBL9498459 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004654-B1 Adjuvants and methods for raising intracellular calcium ion concentration TAKASAGO PERFUMERY CO LTD (JP) 2004-04-14 EP disclosed
US-6150409-A PREVENTING ADAPTATION TO AN ODOR-EMITTING SUBSTANCE BY COMBINING AN (ALKYL)AMINO-SUBSTITUTED BENZOIC ACID ESTER OF GIVEN FORMULA WITH THE ODOR-EMITTING SUBSTANCE TO PROLONG THE SENSORY RESPONSE OF THE SUBJECT MONELL CHEMICAL SENSES CENTER (US) 2000-11-21 US disclosed
JP-2000154396-A ADJUVANT FOR INCREASING INTRACELLULAR CALCIUM ION CONCENTRATION TAKASAGO INTERNATL CORP 2000-06-06 JP disclosed
EP-1004654-A2 Adjuvants and methods for raising intracellular calcium ion concentration Takasago International Corporation (JP) 2000-05-31 EP disclosed