SCHEMBL8387199

SCHEMBL8387199

CCC(C)(C)Oc1ncc(Br)c(OC(C)(C)CC)n1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
NPSR1 Q6W5P4 2/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9310685 0.80 GAA (0.40) GAANPSR1ATMMEN1KMT2A
SCHEMBL896479 0.79 GAA (1.00) GAANPSR1ATMMEN1KMT2A
SCHEMBL22778842 0.71 ALDH1A1 (0.32) GAAALDH1A1TSHRTDP1
SCHEMBL2723864 0.69 GAA (0.50) GAAMEN1KMT2AALDH1A1HPGD
SCHEMBL1697636 0.67 GAA (0.47) GAAMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL22778729 0.66 ALDH1A1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL25097017 0.66 EDNRB (0.36) NPSR1MEN1KMT2A
SCHEMBL322170 0.65 GAA (0.53) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL29693602 0.65 GAA (0.53) GAAMEN1KMT2AALDH1A1TSHR
SCHEMBL22752309 0.63 ALDH1A1 (0.32) ALDH1A1TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565488-B1 Fluorine free titanocenes and their application CIBA GEIGY AG (CH) 1999-04-21 EP disclosed
US-5340701-A Photoinitiators CIBA-GEIGY CORPORATION (US) 1994-08-23 US disclosed
EP-0565488-A1 Fluorine free titanocenes and their application CIBA-GEIGY AG (CH) 1993-10-13 EP disclosed