SCHEMBL8959611

SCHEMBL8959611

COc1c(C(=O)O)[nH]c2cccc(C)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.40
▸ GPR17 Q13304 3/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ RPA1 P27694 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
SCHEMBL7778483 0.84 ALDH1A1 (0.55) MCL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL9573821 0.83 TUBB4A (0.51) MCL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL3255506 0.83 GPR17 (0.55) MCL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL8959749 0.82 KDM4E (0.51) ALDH1A1KDM4EMAPTKMT2APOLB
SCHEMBL29113502 0.80 PTGER1 (0.45) MCL1ALDH1A1MEN1KMT2APOLB
SCHEMBL15516976 0.80 MCL1 (0.44) MCL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL9233403 0.79 TUBB4A (0.37) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11547200 0.78 MCL1 (0.43) MCL1ALDH1A1KDM4EMAPTMEN1
SCHEMBL27514059 0.77 GPR17 (0.39) MCL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3830749 0.76 MAPT (0.46) MCL1ALDH1A1KDM4EMAPTMEN1

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-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 — — US disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 — — EP disclosed
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