SCHEMBL11028601

SCHEMBL11028601

O=C1C(CCO)C(CCOCc2ccccc2)N1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FOLH1 Q04609 2/20 0.38
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
GBA1 P04062 2/20 0.37
UGCG Q16739 2/20 0.37
GBA2 Q9HCG7 2/20 0.37
TSHR P16473 2/20 0.37
PDE4D Q08499 1/20 0.37
AGTR2 P50052 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
EP300 Q09472 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9811417 0.79 ALDH1A1 (0.40) EHMT2MEN1KMT2AAGTR2
SCHEMBL9811411 0.79 ALDH1A1 (0.40) EHMT2MEN1KMT2AAGTR2
SCHEMBL9811413 0.79 ALDH1A1 (0.40) EHMT2MEN1KMT2AAGTR2
SCHEMBL9811335 0.78 ELANE (0.41) EHMT2MEN1KMT2AAGTR2CYP2C19
SCHEMBL9814365 0.78 ELANE (0.41) EHMT2MEN1KMT2AAGTR2CYP2C19
SCHEMBL9628759 0.78 EHMT2 (0.42) EHMT2MEN1KMT2AKDM4ETSHR
SCHEMBL10754684 0.74 EHMT2 (0.36) EHMT2MEN1KMT2AKDM4EPOLB
SCHEMBL9629112 0.72 EHMT2 (0.44) EHMT2MEN1KMT2AKDM4ETSHR
SCHEMBL7847727 0.71 MEN1 (0.50) EHMT2MEN1KMT2AKDM4EGBA1
SCHEMBL7847725 0.71 MEN1 (0.50) EHMT2MEN1KMT2AKDM4EGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0181581-A1 beta-Aminothiol ester and process for preparing thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-05-21 EP disclosed