SCHEMBL9003579

SCHEMBL9003579

CC(C)(c1ccc(OCCCCOc2ccccc2)cc1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
ALDH1A1 P00352 8/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
POLB P06746 3/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.50
GAA P10253 2/20 0.48
MCL1 Q07820 2/20 0.48
MAPT P10636 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL9003309 0.97 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL8973123 0.96 KDM4E (0.52) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL7759210 0.93 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9003634 0.91 KDM4E (0.49) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9003497 0.90 KDM4E (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9678161 0.90 TP53 (0.53) MCL1
SCHEMBL9678172 0.90 TP53 (0.53) MCL1
SCHEMBL9003501 0.90 CA1 (0.47) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL9675505 0.90 TP53 (0.53) MCL1
SCHEMBL9003629 0.90 KDM4E (0.53) KDM4EALDH1A1MEN1KMT2AHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424914-B1 Recording material NEW OJI PAPER CO LTD (JP) 1996-09-25 EP disclosed
US-5276001-A Color developer comprising salicylic acid derivative KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-01-04 US disclosed
US-5096872-A Colorless basic dye reacts with salicylic acid derivative to form colored image, paper KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1992-03-17 US disclosed
EP-0424914-A2 Recording material NEW OJI PAPER CO., LTD. (JP) 1991-05-02 EP disclosed