SCHEMBL19975995

SCHEMBL19975995

CC(C)(C)BCc1c(Cl)cccc1B(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 2/20 0.33
KMT2A Q03164 4/20 0.33
ADRA2A P08913 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTR1A P08908 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAOA P21397 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 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
SCHEMBL19975996 0.75 LIPG (0.46) ENPP2
SCHEMBL16576658 0.75 TAAR1 (0.37) AKR1B1HPGDSMN1; SMN2MAPK1KMT2A
SCHEMBL4566260 0.74 AKR1B1 (0.41) AKR1B1SMN1; SMN2MAPK1KMT2AADRA2A
SCHEMBL19975967 0.73 LIPG (0.34)
SCHEMBL24425186 0.71 ENPP2 (0.36) AKR1B1HPGDSMN1; SMN2LMNACYP2D6
SCHEMBL29352520 0.65 TSHR (0.48) KMT2AMEN1LMNACYP3A4CYP2D6
SCHEMBL4991 0.65 TSHR (0.48) KMT2AMEN1LMNACYP3A4CYP2D6
SCHEMBL31125058 0.65 ENPP2 (0.39) LMNAENPP2
SCHEMBL4129 0.65 TSHR (0.47) LMNAMAPTENPP2
SCHEMBL29404220 0.65 TSHR (0.47) LMNAMAPTENPP2

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-9920085-B2 Boronic acid conjugates of oligonucleotide analogues SAREPTA THERAPEUTICS, INC. (US) 2018-03-20 US disclosed