SCHEMBL8717359

SCHEMBL8717359

CCc1c[nH]c(Cc2[nH]c(C=O)c(C)c2CCCO)c1CC

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 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
SCHEMBL8719717 0.88 IGF1R (0.31)
SCHEMBL4107546 0.88 P2RX7 (0.34) P2RX7
SCHEMBL8686610 0.81 NPSR1 (0.38)
SCHEMBL2401165 0.77 P2RX7 (0.33) P2RX7
SCHEMBL6863189 0.75 IGF1R (0.33) P2RX7
SCHEMBL13228907 0.75 ALDH1A1 (0.34) P2RX7
SCHEMBL14864027 0.72 P2RX7 (0.36) P2RX7
SCHEMBL7689059 0.72 KMT2A (0.36) P2RX7
SCHEMBL9655714 0.72 PGR (0.34)
SCHEMBL6088742 0.69 KDM4E (0.46)

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-5733903-A ANTITUMOR AGENTS WITH DIAMAGNETISM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-03-31 US disclosed
US-5504205-A MACROMOLECULAR PORPHYRINS; WATER SOLUBILITY, LIPOPHILIC BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-04-02 US disclosed