SCHEMBL19901786

SCHEMBL19901786

NC(=O)[C@H](N)CCOCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 5/20 0.55
LTA4H P09960 2/20 0.51
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 1/20 0.45
SLC1A3 P43003 4/20 0.45
SLC1A2 P43004 3/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
FOLH1 Q04609 1/20 0.43
TACR1 P25103 2/20 0.42

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
SCHEMBL6051426 0.88 SLC1A1 (0.65) SLC1A1LTA4HHTTSMN1; SMN2TSHR
SCHEMBL6051430 0.88 SLC1A1 (0.65) SLC1A1LTA4HHTTSMN1; SMN2TSHR
SCHEMBL27479686 0.88 SLC1A1 (0.65) SLC1A1LTA4HHTTSMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL3575814 0.87 SLC1A1 (0.63) SLC1A1LTA4HHTTSMN1; SMN2SLC1A3
SCHEMBL10678429 0.85 SLC1A1 (0.54) SLC1A1LTA4HHTTSMN1; SMN2TSHR
SCHEMBL30812376 0.85 SLC1A1 (0.61) SLC1A1LTA4HHTTSMN1; SMN2SLC1A3
SCHEMBL27252479 0.85 SMN1; SMN2 (0.48) SLC1A1HTTSMN1; SMN2TSHRSLC1A3
SCHEMBL5761389 0.83 SLC1A1 (0.62) SLC1A1LTA4HTSHRSLC1A3SLC1A2
SCHEMBL2713781 0.83 SLC1A1 (0.62) SLC1A1LTA4HTSHRSLC1A3SLC1A2
SCHEMBL2781638 0.83 SLC1A1 (0.62) SLC1A1LTA4HTSHRSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed