SCHEMBL8511595

SCHEMBL8511595

O=Cc1ccccc1OCCN1C=CC=CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
RAD52 P43351 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 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
SCHEMBL6914412 0.73 ALDH1A1 (1.00) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL1892119 0.72 MEN1 (0.63) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL7137961 0.71 LTA4H (0.55) LMNA
SCHEMBL7137958 0.71 LTA4H (0.55) LMNA
SCHEMBL8372730 0.71 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL5805320 0.71 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8624615 0.71 MEN1 (0.62) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
SCHEMBL7320462 0.71 TSHR (0.63) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL8481677 0.70 TSHR (0.61) ALDH1A1HPGDHTTSMN1; SMN2KMT2A
Water SCHEMBL8479959 0.70 TSHR (0.61) ALDH1A1HPGDHTTSMN1; SMN2KMT2A

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-5958969-A OSTEOPOROSIS ELI LILLY AND COMPANY (US) 1999-09-28 US disclosed