SCHEMBL9523374

SCHEMBL9523374

O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.59
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EPHX2 P34913 1/20 0.47

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
SCHEMBL9520932 0.79 ALDH1A1 (0.49) P2RX7ALDH1A1GAAKMT2ATDP1
SCHEMBL7572613 0.79 P2RX7 (0.72) P2RX7ALDH1A1KMT2AEPHX2
SCHEMBL9125662 0.76 ALDH1A1 (0.57) ALDH1A1GAAKMT2ATDP1
SCHEMBL8381564 0.76 P2RX7 (0.72) P2RX7
SCHEMBL9522240 0.76 KMT2A (0.54) ALDH1A1GAAKMT2ATDP1EPHX2
SCHEMBL7571529 0.75 P2RX7 (1.00) P2RX7
SCHEMBL14160432 0.75 P2RX7 (0.71) P2RX7EPHX2
SCHEMBL31424200 0.75 P2RX7 (0.76) P2RX7
SCHEMBL7568670 0.75 P2RX7 (0.71) P2RX7ALDH1A1KMT2A
SCHEMBL7570190 0.75 P2RX7 (1.00) P2RX7

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
EP-0395093-B1 TRIPHENYLMETHANE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-01 EP disclosed
EP-0395093-A1 Triphenylmethane derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-10-31 EP disclosed