SCHEMBL8091443

SCHEMBL8091443

COc1ccc(CCC(CCc2cc[c]cc2)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
LTA4H P09960 1/20 0.45
PBRM1 Q86U86 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABCB1 P08183 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL11712943 0.81 CYP19A1 (0.39) KMT2AMEN1
SCHEMBL6568512 0.80 ALDH1A1 (0.61) ALDH1A1LTA4HPBRM1KMT2AMEN1
SCHEMBL1170712 0.80 CYP19A1 (0.40) KMT2AMEN1POLB
SCHEMBL24371959 0.79 KMT2A (0.59) ALDH1A1LTA4HKMT2AMEN1SMN1; SMN2
SCHEMBL9864385 0.79 TAAR1 (0.57) ALDH1A1KDM4E
SCHEMBL6570932 0.78 CYP19A1 (0.46)
SCHEMBL27496419 0.77 TAAR1 (0.55) ALDH1A1KDM4E
SCHEMBL27829880 0.77 ALDH1A1 (0.57) ALDH1A1LTA4HKMT2AMEN1TDP1
SCHEMBL26152583 0.77 ALDH1A1 (0.75) ALDH1A1LTA4HKMT2AMEN1KDM4E
SCHEMBL7452354 0.76 ALDH1A1 (0.56) ALDH1A1LTA4HGAAMAPK1L3MBTL1

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-6124328-A TREATING NERVE CELLS WITH A NEUROTROPHIC AGENT; PROMOTING REPAIR OF NEURONAL DAMAGE CAUSED BY DISEASE OR PHYSICAL TRAUMA VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-09-26 US disclosed
US-6037370-A TREATING ALZHEIMER*S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, PARKINSON*S DISEASE, AND OTHER NERVOUS SYSTEM DISORDERS WITH PEPTIDE DERIVATIVES VERTEX PHARMACEUTICALS INCORPORATED (US) 2000-03-14 US disclosed