SCHEMBL4669792

SCHEMBL4669792

C=C(C(=O)Nc1ccccc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
RXFP1 Q9HBX9 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
HSD17B10 Q99714 2/20 0.50
NAPRT Q6XQN6 1/20 0.50
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
CDK9 P50750 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
GAA P10253 2/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5042204 0.83 NPC1 (0.55) ALDH1A1RXFP1MAPTMEN1KMT2A
Benzene SCHEMBL28102821 0.81 ALDH1A1 (0.50) ALDH1A1RXFP1MAPTMEN1KMT2A
SCHEMBL13588717 0.80 ALDH1A1 (0.56) ALDH1A1RXFP1MAPTMEN1KMT2A
SCHEMBL219147 0.78 KDM4E (0.66) ALDH1A1RXFP1MAPTKMT2ASMN1; SMN2
SCHEMBL1772808 0.77 SMN1; SMN2 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
Benzene SCHEMBL28977956 0.76 SMN1; SMN2 (0.70) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL57554 0.76 SMN1; SMN2 (0.70) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20412067 0.75 ALDH1A1 (0.50) ALDH1A1RXFP1MAPTMEN1KMT2A
SCHEMBL9886 0.75 ALDH1A1 (0.85) ALDH1A1RXFP1MAPTMEN1KMT2A
SCHEMBL19425986 0.75 ALDH1A1 (0.85) ALDH1A1RXFP1MAPTMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1631375-A4 INJECTABLE HYDROGEL MICROSPHERES FROM AQUEOUS TWO-PHASE SYSTEM CORNELL RES FOUNDATION INC (US) 2008-07-02 EP claimed
EP-1631375-A2 INJECTABLE HYDROGEL MICROSPHERES FROM AQUEOUS TWO-PHASE SYSTEM CORNELL RESEARCH FOUNDATION, INC. (US) 2006-03-08 EP claimed
WO-2004066704-A2 INJECTABLE HYDROGEL MICROSPHERES FROM AQUEOUS TWO-PHASE SYSTEM CORNELL RESEARCH FOUNDATION, INC. (US) 2004-08-12 WO claimed
EP-3413964-A1 DRUG ELUTING BALLOON OrbusNeich Medical, Inc. (US) 2018-12-19 EP disclosed
WO-2017139357-A1 DRUG ELUTING BALLOON ORBUSNEICH MEDICAL, INC. (US) 2017-08-17 WO disclosed