SCHEMBL8436952

SCHEMBL8436952

COc1cc(CNCCNCc2cc(OC)cc(OC)c2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TSHR P16473 3/20 0.53
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 3/20 0.52
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HIF1A Q16665 1/20 0.45
RAD52 P43351 1/20 0.45
PAX8 Q06710 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
Hydrochloric Acid SCHEMBL8432474 0.98 MEN1 (0.51) CHRM2MEN1KMT2ATSHRKDM4E
SCHEMBL13330470 0.90 MEN1 (0.49) CHRM2MEN1KMT2ATSHRKDM4E
SCHEMBL12963417 0.84 MEN1 (0.51) CHRM2MEN1KMT2ATSHRKDM4E
SCHEMBL6293512 0.83 MEN1 (0.50) CHRM2MEN1KMT2ATSHRKDM4E
Formic Acid SCHEMBL6324510 0.82 MEN1 (0.50) CHRM2MEN1KMT2ATSHRKDM4E
SCHEMBL10032820 0.82 BCHE (0.64) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL8882896 0.79 MEN1 (0.69) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL4916089 0.79 CHRM2 (0.81) CHRM2MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL19325340 0.79 MEN1 (0.47) MEN1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL3544426 0.79 KMT2A (0.51) MEN1KMT2AKDM4ESMN1; SMN2ALDH1A1

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
US-5714155-A ANTIINFLAMMATORY AGENTS; TOPICAL; SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 1998-02-03 US claimed
US-5968532-A SUBSTANCE P ANTAGONISTS SOCIETE L'OREAL S.A. (FR) 1999-10-19 US disclosed
US-5714155-A ANTIINFLAMMATORY AGENTS; TOPICAL; SUBSTANCE P ANTAGONIST SOCIETE L'OREAL S.A. (FR) 1998-02-03 US disclosed