SCHEMBL11056074

SCHEMBL11056074

Cc1cc(C)cc(N(C)CCCl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
POLB P06746 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30
TSPO P30536 1/20 0.30

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
SCHEMBL10980020 0.79 HTR7 (0.47) LMNATP53HTTEGFRMEN1
SCHEMBL11057419 0.79 EGFR (0.37) MAPTTSHRLMNAEGFRMEN1
SCHEMBL19006935 0.79 NOS1 (0.41) TSHRALDH1A1NOS3NOS1NOS2
SCHEMBL10712858 0.77 ALDH1A1 (0.39) MAPTTP53HTTHBBEGFR
SCHEMBL11050700 0.77 ALDH1A1 (0.48) MAPTTSHRLMNATP53HTT
SCHEMBL12776490 0.77 MAPT (0.39) MAPTTSHRLMNATP53HTT
SCHEMBL11121102 0.74 HPGD (0.36) TP53ALDH1A1NOS3NOS1NOS2
SCHEMBL28233363 0.73 IGLV6-57 (0.37) TSHRHTTALDH1A1TSPO
SCHEMBL7998276 0.72 GPR84 (0.44) MAPTTP53ALDH1A1
SCHEMBL11057385 0.72 THRB (0.44) MAPTLMNAMEN1KMT2AALDH1A1

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-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US claimed
US-4439380-A Photopolymerizable composition, especially for dental purposes ETABLISSEMENT DENTAIRE IVOCLAR (LI) 1984-03-27 US disclosed