SCHEMBL8060070

SCHEMBL8060070

C=CN(C=C(C)C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
CYP2C9 P11712 1/20 0.36
GLA P06280 1/20 0.35
TSHR P16473 1/20 0.35
APEX1 P27695 7/20 0.35
AKT1 P31749 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL10434319 0.76 AKR1C3 (0.48) AKR1C3ALDH1A1POLBKMT2AMTNR1A
SCHEMBL23846651 0.74 ALDH1A1 (0.33) ALDH1A1MEN1POLBKMT2AMTNR1A
SCHEMBL296620 0.73 ALDH1A1 (0.48) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL9395099 0.71 AKR1C3 (0.44) AKR1C3ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL9395086 0.71 AKR1C3 (0.44) AKR1C3ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL8060943 0.70 HDAC3 (0.41) ALDH1A1MEN1POLBKMT2ANPSR1
Styrene SCHEMBL9054563 0.70 AKR1C3 (0.47) AKR1C3ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL273919 0.69 KMT2A (0.46) ALDH1A1MEN1POLBKMT2AMTNR1A
SCHEMBL8439572 0.69 AKR1C3 (0.42) AKR1C3ALDH1A1MEN1KMT2AMTNR1A
SCHEMBL23957555 0.68 ALDH1A1 (0.36) ALDH1A1MEN1POLBKMT2AMTNR1A

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
US-6086764-A Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use CROSSWINDS, INC. (US) 2000-07-11 US claimed
EP-0884096-A1 Semipermeable encapsulated membranes with improved acid and base stability process for their manufacture and their use Crosswinds, Inc. (US) 1998-12-16 EP claimed