SCHEMBL30817396

SCHEMBL30817396

O=C1CC(c2cccc(N3CCC4(CC3)OCCO4)c2)CC(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 1/20 0.43
HTR6 P50406 2/20 0.40
RORC P51449 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
DHFR P00374 2/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATM Q13315 2/20 0.36
CYP2C19 P33261 1/20 0.35
JAK2 O60674 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL30817316 0.84 LGMN (0.47) LGMNRORCALDH1A1TSHRLMNA
SCHEMBL27293037 0.80 HTR6 (0.41) HTR6ALDH1A1TSHRBRD4CREBBP
SCHEMBL23484654 0.75 DHFR (0.44) LGMNRORCALDH1A1TSHRCYP3A4
SCHEMBL20723355 0.71 LGMN (0.49) LGMNALDH1A1TSHRDHFRL3MBTL1
SCHEMBL31067148 0.71 SLC6A2 (0.50) LGMNALDH1A1TSHRCYP3A4LMNA
SCHEMBL12160679 0.71 LGMN (0.49) LGMNALDH1A1TSHRATMSLC6A2
SCHEMBL14117684 0.71 RAB9A (0.57) LGMNALDH1A1LMNAGAAL3MBTL1
SCHEMBL30286655 0.70 LGMN (0.46) LGMNRORCALDH1A1TSHRGAA
SCHEMBL27448864 0.70 LGMN (0.46) LGMNALDH1A1TSHRLMNAGAA
SCHEMBL612022 0.70 LMNA (0.55) LGMNALDH1A1TSHRCYP3A4LMNA

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
WO-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed