SCHEMBL18117828

SCHEMBL18117828

C=CC1OC(C=C)[C@@H]2C(=O)N(CCO)C(=O)[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18117834 0.86 ALDH1A1 (0.33) ALDH1A1MAPTUSP2TSHRHTT
SCHEMBL19115781 0.82 ALDH1A1 (0.35) ALDH1A1MAPTPOLBPKMCTDSP1
SCHEMBL17830121 0.79 SMN1; SMN2 (0.49) ALDH1A1TSHRPOLBPKMCTDSP1
SCHEMBL18117827 0.78 ALDH1A1 (0.41) ALDH1A1MAPTPOLBPKMCTDSP1
SCHEMBL18120629 0.78 ALDH1A1 (0.36) ALDH1A1MAPTHTTLMNAPOLB
SCHEMBL18098030 0.74 ALDH1A1 (0.33) ALDH1A1MAPTHTTHSD17B10
SCHEMBL20878428 0.72 ALDH1A1 (0.41) ALDH1A1MAPTUSP2TSHRHTT
SCHEMBL18098039 0.71 USP2 (0.41) ALDH1A1MAPTUSP2TSHRHTT
SCHEMBL12284086 0.70 ALDH1A1 (0.50) ALDH1A1MAPTUSP2TSHRHTT
SCHEMBL13989231 0.70 ALDH1A1 (0.50) ALDH1A1MAPTUSP2TSHRHTT

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-3075764-B1 HYDROPHILICALLY MODIFIED FLUORINATED MEMBRANE PALL CORP (US) 2017-10-25 EP disclosed
EP-3075764-A1 HYDROPHILICALLY MODIFIED FLUORINATED MEMBRANE Pall Corporation (US) 2016-10-05 EP disclosed