SCHEMBL27482134

SCHEMBL27482134

CCCCN(C(=O)c1ccccc1)c1ccc(F)c([Ti])c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.44
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 4/20 0.42
ADRB2 P07550 1/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
S1PR1 P21453 4/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL27482477 0.96 NPC1 (0.43) ADRA2CMLYCDALDH1A1ADRB2HPGD
SCHEMBL5695492 0.89 S1PR1 (0.46) ALDH1A1ADRB2HPGDGAAS1PR1
SCHEMBL4304714 0.89 LPAR1 (0.37) ADRA2CMLYCDALDH1A1ADRB2HPGD
SCHEMBL27482470 0.88 RARB (0.36) ADRA2CMLYCDALDH1A1ADRB2HPGD
SCHEMBL27483226 0.86 ADRA2C (0.46) ADRA2CHDAC1NPC1RAB9ALPAR1
SCHEMBL27465871 0.85 S1PR1 (0.47) ALDH1A1S1PR1HDAC1NPC1JAK2
SCHEMBL27497662 0.84 KMT2A (0.42) ADRA2CMLYCDALDH1A1HPGDS1PR1
SCHEMBL27482844 0.83 ALDH1A1 (0.37) ADRA2CMLYCDALDH1A1ADRB2HPGD
SCHEMBL27497664 0.81 LPAR1 (0.37) ADRA2CMLYCDLPAR1LPAR5
SCHEMBL27482478 0.81 TSHR (0.47) ADRA2CGAAHDAC1HDAC6NPC1

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
CN-1171122-C Optical polymerism composition 富士胶片株式会社 2004-10-13 CN disclosed
CN-1319784-A Optical polymerism composition FUJI PHOTO FILM CO LTD (JP) 2001-10-31 CN disclosed