SCHEMBL16269403

SCHEMBL16269403

COC(=O)c1ccccc1NC=C(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
MEN1 O00255 4/20 0.61
KDM4E B2RXH2 4/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 3/20 0.53
HPGD P15428 4/20 0.48
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 1/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16269402 1.00 KMT2A (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL16269400 1.00 KMT2A (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL9505468 0.80 KMT2A (0.76) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL27149165 0.78 KMT2A (0.50) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL4435895 0.78 KMT2A (0.45) KMT2AKDM4ERAB9AHPGDALDH1A1
SCHEMBL31412797 0.78 KMT2A (0.45) KMT2AKDM4ERAB9AHPGDALDH1A1
SCHEMBL31123654 0.75 KDM4E (0.61) KMT2AMEN1KDM4ETSHRRAB9A
SCHEMBL16269041 0.74 ALDH1A1 (0.53) KMT2AKDM4ERAB9AHPGDALDH1A1
SCHEMBL16269043 0.74 ALDH1A1 (0.53) KMT2AKDM4ERAB9AHPGDALDH1A1
SCHEMBL28628885 0.73 KMT2A (0.62) KMT2AMEN1KDM4ETSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240050335-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH & CIE (CH) 2024-02-15 US claimed
WO-2018145219-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING ADDICTIONS BY MEANS OF AVERSIVE COUNTERCONDITIONING SERANI MOSTAZAL JORGE (CL) 2018-08-16 WO claimed
US-20240050335-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH & CIE (CH) 2024-02-15 US disclosed
US-20240043770-A1 A SYNERGISTIC PERFUMING COMPOSITION FIRMENICH & CIE (CH) 2024-02-08 US disclosed
EP-3004157-A1 OLFACTORY RECEPTORS INVOLVED IN THE PERCEPTION OF SWEAT CARBOXYLIC ACIDS AND THE USE THEREOF ChemCom S.A. (BE) 2016-04-13 EP disclosed
WO-2014191047-A1 OLFACTORY RECEPTORS INVOLVED IN THE PERCEPTION OF SWEAT CARBOXYLIC ACIDS AND THE USE THEREOF CHEMCOM S.A. (BE) 2014-12-04 WO disclosed