SCHEMBL19974976

SCHEMBL19974976

CCCC(F)NC(=O)C(O)C(C)N(C=O)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
BMP1 P13497 1/20 0.33
MMP12 P39900 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL19975376 0.84 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL21176264 0.79 HPGD (0.43) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL30062960 0.78 POLB (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL19974770 0.78 POLB (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL19974773 0.78 POLB (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL19974842 0.76 KMT2A (0.43) KMT2AALDH1A1HPGDPOLBCYP1A2
SCHEMBL19975415 0.76 HPGD (0.42) TSHRL3MBTL1ALDH1A1HPGDNPC1
SCHEMBL19975543 0.73 HPGD (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL19974978 0.72 CTSD (0.44) TSHRL3MBTL1ALDH1A1RAB9ACYP3A4
SCHEMBL19975312 0.71 LMNA (0.35) MEN1KMT2AHPGDNPC1RAB9A

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-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed