SCHEMBL16638890

SCHEMBL16638890

C=C(OC)c1ccc(C)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
MITF O75030 1/20 0.38

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
SCHEMBL29344902 0.79 PRSS1 (0.44) PRSS1PRSS2PRSS3TAS1R3TAS1R1
SCHEMBL8410463 0.77 PRSS1 (0.54) PRSS1PRSS2PRSS3TAS1R3TAS1R1
SCHEMBL2658791 0.75 CES2 (0.58) PRSS1PRSS2PRSS3TAS1R3TAS1R1
SCHEMBL19518885 0.75 RAD52 (0.39) MAPTLMNASMN1; SMN2RAB9AKMT2A
SCHEMBL10267005 0.75 TDP1 (0.54) MAPTLMNAGAASMN1; SMN2CES2
SCHEMBL31484336 0.75 PRSS1 (0.52) PRSS1PRSS2PRSS3TAS1R3TAS1R1
SCHEMBL12824890 0.75 PRSS1 (0.64) PRSS1PRSS2PRSS3MAPTLMNA
SCHEMBL902913 0.75 PRSS1 (0.52) PRSS1PRSS2PRSS3MAPTLMNA
SCHEMBL1363337 0.75 PRSS1 (0.52) PRSS1PRSS2PRSS3TAS1R3TAS1R1
SCHEMBL23476007 0.74 PRSS1 (0.47) PRSS1PRSS2PRSS3TAS1R3TAS1R1

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
EP-2860176-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF Beijing Foreland Biopharma Co., Ltd. (CN) 2015-04-15 EP disclosed