SCHEMBL9015247

SCHEMBL9015247

OC[C@]1(Cc2ccccc2)CCCN1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.44
ALDH1A1 P00352 4/20 0.44
GAA P10253 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 4/20 0.40
OPRL1 P41146 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9015241 1.00 POLB (0.44) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL12672699 0.92 MEN1 (0.45) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL24998567 0.86 MEN1 (0.41) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL14893329 0.84 KMT2A (0.42) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL10570044 0.82 CYP3A4 (0.42) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL5466208 0.80 KMT2A (0.46) POLBALDH1A1MEN1KMT2AOPRL1
Hydrochloric Acid SCHEMBL7466665 0.79 MEN1 (0.45) POLBALDH1A1MEN1KMT2ALMNA
SCHEMBL8781588 0.79 GAA (0.38) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL27555623 0.78 SIGMAR1 (0.45) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL8663255 0.78 OPRL1 (0.45) POLBALDH1A1GAAMEN1KMT2A

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-5527923-A Process for preparing enantiomerically pure diarylprolinols BOEHRINGER INGELHEIM KG (DE) 1996-06-18 US claimed