SCHEMBL2189223

SCHEMBL2189223

CCCCCCC(=O)NCCc1ccncc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
TRPV1 Q8NER1 2/20 0.63
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
EPHX2 P34913 1/20 0.61
STS P08842 2/20 0.60
CNR1 P21554 1/20 0.58
HPGD P15428 3/20 0.57
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
GMNN O75496 1/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
IDE P14735 1/20 0.55

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
SCHEMBL20543214 1.00 HSD17B10 (0.63) HSD17B10TRPV1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL20543011 0.99 HSD17B10 (0.61) HSD17B10TRPV1MAPTMEN1KMT2A
SCHEMBL30515391 0.88 HPGD (0.67) HSD17B10EPHX2HPGDNPC1RAB9A
SCHEMBL14102656 0.86 EPHX2 (0.65) TRPV1MAPTMEN1KMT2AEPHX2
SCHEMBL1456740 0.85 EPHX2 (0.80) HSD17B10TRPV1MAPTMEN1KMT2A
SCHEMBL18328442 0.85 EPHX2 (0.72) TRPV1MAPTMEN1KMT2AEPHX2
SCHEMBL14102773 0.85 EPHX2 (0.72) TRPV1MAPTMEN1KMT2AEPHX2
SCHEMBL19043177 0.85 EPHX2 (0.80) HSD17B10TRPV1MAPTMEN1KMT2A
SCHEMBL4183114 0.85 EPHX2 (0.80) HSD17B10TRPV1MAPTMEN1KMT2A
SCHEMBL30445464 0.85 EPHX2 (0.80) HSD17B10TRPV1MAPTMEN1KMT2A

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-2342180-A2 ORGANIC COMPOUNDS SUITABLE FOR MODULATING FRAGRANCE COMPOSITIONS Givaudan SA (CH) 2011-07-13 EP disclosed
WO-2010037244-A2 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-04-08 WO disclosed