SCHEMBL11054233

SCHEMBL11054233

Cc1ccc(C)c(N(C)CCCl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.38
ALDH1A1 P00352 6/20 0.38
POLB P06746 3/20 0.38
GPR55 Q9Y2T6 2/20 0.36
THRB P10828 2/20 0.36
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 3/20 0.34
TAAR1 Q96RJ0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TRPA1 O75762 1/20 0.31
PYCR1 P32322 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
SCHEMBL19007315 0.82 HTT (0.39) ALDH1A1POLBGAATDP1HTT
SCHEMBL18757121 0.82 HCAR3 (0.36) MAPTALDH1A1POLBGPR55TDP1
SCHEMBL23469288 0.78 ALDH1A1 (0.38) MAPTALDH1A1THRBGAANPSR1
SCHEMBL10111220 0.78 ALDH1A1 (0.38) MAPTALDH1A1POLBTHRBTDP1
SCHEMBL7997975 0.77 ALDH1A1 (0.40) MAPTALDH1A1THRBGAANPSR1
SCHEMBL7255765 0.76 TP53 (0.44) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL21793456 0.72 TDP1 (0.44) ALDH1A1POLBTHRBGAATDP1
SCHEMBL3185975 0.72 TDP1 (0.44) ALDH1A1POLBTHRBGAATDP1
SCHEMBL11050700 0.71 ALDH1A1 (0.48) MAPTALDH1A1POLBTDP1HTT
SCHEMBL9703394 0.71 ALDH1A1 (0.39) MAPTALDH1A1POLBGPR55THRB

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 1 patent. 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