SCHEMBL9559705

SCHEMBL9559705

CCC(=O)c1c(N)cc(OC)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
HMGCR P04035 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42

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
SCHEMBL7681196 0.85 KDM4E (0.44) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL27613224 0.81 HMGCR (0.57) KDM4EHMGCRALDH1A1MEN1KMT2A
SCHEMBL1807423 0.81 KDM4E (0.49) KDM4EPOLBALDH1A1TUBB4ATUBB
SCHEMBL29033634 0.81 KDM4E (0.49) KDM4EPOLBALDH1A1TUBB4ATUBB
Hydrochloric Acid SCHEMBL20547016 0.80 DPP4 (0.48) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL1806113 0.79 KDM4E (0.60) KDM4EPOLBALDH1A1TUBB4ATUBB
SCHEMBL9752929 0.77 HMGCR (0.50) KDM4EHMGCRALDH1A1MEN1KMT2A
SCHEMBL9559998 0.77 CYP3A4 (0.47) POLBHMGCRALDH1A1MEN1KMT2A
SCHEMBL16168327 0.75 HMGCR (0.54) KDM4EPOLBHMGCRALDH1A1MEN1
SCHEMBL31421883 0.74 ALDH1A1 (0.36) POLBHMGCRALDH1A1MEN1KMT2A

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-0325247-B1 CAMPTOTHECIN DERIVATIVES AND PROCESS FOR PREPARING SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1993-05-19 EP disclosed
US-5061800-A ANTITUMOR AGENTS KABUSHIKI KAISHA YAKULT HONSHA (JP) 1991-10-29 US disclosed
EP-0325247-A1 Camptothecin derivatives and process for preparing same KABUSHIKI KAISHA YAKULT HONSHA (JP) 1989-07-26 EP disclosed