SCHEMBL29324444

SCHEMBL29324444

NC(COCCOCCOCC(N)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
TACR1 P25103 1/20 0.58
ANPEP P15144 1/20 0.53
SCN4A P35499 3/20 0.53
SLC6A2 P23975 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MAOA P21397 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
CYP2A6 P11509 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MMP2 P08253 2/20 0.45
CYP2D6 P10635 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL7450428 0.87 EPHX1 (0.55) EPHX1TACR1ANPEPSCN4ASLC6A2
SCHEMBL7450422 0.87 EPHX1 (0.55) EPHX1TACR1ANPEPSCN4ASLC6A2
SCHEMBL7450433 0.87 EPHX1 (0.55) EPHX1TACR1ANPEPSCN4ASLC6A2
SCHEMBL29199660 0.84 TACR1 (0.46) EPHX1TACR1ANPEPSCN4ASLC6A2
SCHEMBL903590 0.84 TACR1 (0.73) EPHX1TACR1ANPEPSCN4ALTA4H
SCHEMBL18579714 0.84 TACR1 (0.73) EPHX1TACR1ANPEPSCN4ALTA4H
SCHEMBL18579716 0.84 TACR1 (0.73) EPHX1TACR1ANPEPSCN4ALTA4H
SCHEMBL23477855 0.83 SLC15A1 (0.53) EPHX1TACR1ANPEPSCN4AMMP2
SCHEMBL4582580 0.83 MMP2 (0.52) EPHX1TACR1ANPEPSCN4AMAOA
Hydrochloric Acid SCHEMBL6735402 0.82 TACR1 (0.71) EPHX1TACR1ANPEPSCN4ALTA4H

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
US-20240240048-A1 POLYROTAXANE HAVING AMINO GROUP DENKA COMPANY LIMITED (JP) 2024-07-18 US disclosed