SCHEMBL7984333

SCHEMBL7984333

COc1cc2c(=O)n(CCCc3ccccc3)c3cc(OC)c(OC)cc3c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.49
POLB P06746 1/20 0.49
RORA P35398 2/20 0.47
RORC P51449 2/20 0.47
RORB Q92753 2/20 0.47
PGR P06401 1/20 0.47
EBP Q15125 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
SRC P12931 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7970086 0.84 SRC (0.63) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7403886 0.81 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7983612 0.80 SRC (0.70) ALDH1A1RORARORCRORBSRC
SCHEMBL7984408 0.79 SRC (0.51) MAPTALDH1A1EBPSIGMAR1TMEM97
SCHEMBL7980611 0.77 SRC (0.60) MAPTALDH1A1KDM4EHSD17B10TSHR
SCHEMBL9370571 0.74 SRC (0.57) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20547147 0.70 ALDH1A1 (0.50) MAPTALDH1A1HPGDTSHRPOLB
SCHEMBL9788901 0.70 GSK3A (0.51) ALDH1A1SIGMAR1SMN1; SMN2MAPK8
SCHEMBL7983884 0.69 SRC (0.67) MAPTALDH1A1KDM4ETSHRSRC
SCHEMBL7970469 0.69 NOX4 (0.71) MAPTALDH1A1TSHRSRCSMN1; SMN2

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
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
EP-0586608-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER INC. (US) 1994-03-16 EP disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed