SCHEMBL7599649

SCHEMBL7599649

CCCOc1c(OC)cc(C)c(C(=O)c2c(OC)ccc(Br)c2C)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTPN1 P18031 1/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SMPD1 P17405 1/20 0.39
HDAC1 Q13547 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
SCHEMBL7602517 0.89 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7044465 0.85 PDE4A (0.47) APPSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7598060 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7602501 0.82 THRA (0.46) APPALDH1A1MEN1KMT2AMAPT
SCHEMBL7518963 0.82 SMPD1 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2ATHRB
SCHEMBL7601914 0.81 MAPT (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7600520 0.80 MAPT (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL7603075 0.78 MAPT (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL6737783 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MEN1KMT2APTPN1
Metrafenone SCHEMBL30013482 0.76 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APTPN1MAPT

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-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed