SCHEMBL7866581

SCHEMBL7866581

NC(=O)CCCn1cccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6333046 0.88 LMNA (0.44) TP53LMNAKDM4ETSHRHPGD
SCHEMBL1278389 0.81 TBXAS1 (0.48) LMNATSHRHPGDMEN1KMT2A
SCHEMBL5512391 0.74 TBXAS1 (0.56) LMNATSHR
SCHEMBL26091147 0.74 TSHR (0.54) LMNATSHRMEN1KMT2AALDH1A1
Urea SCHEMBL28086323 0.74 NPC1 (0.47) LMNAKDM4EMEN1KMT2AALDH1A1
Urea SCHEMBL27857769 0.73 TP53 (0.41) TP53LMNATSHRHPGDMEN1
SCHEMBL5829664 0.73 TBXAS1 (0.59) LMNATSHRALDH1A1
SCHEMBL608651 0.73 TBXAS1 (0.59) LMNATSHRALDH1A1
SCHEMBL2287581 0.73 TBXAS1 (0.59) LMNATSHRALDH1A1
SCHEMBL31016264 0.73 TBXAS1 (0.59) LMNATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6323344-B1 HYDROLYZING 5-BENZOYL-2,3-DIHYDRO-1H-PYRROLIZINE-1-CARBOXAMIDES COMPOUND IN PRESENCE OF STRONG BASE TO FORM KETOROLAC SYNTEX (U.S.A.) INC. 2001-11-27 US disclosed
US-6197976-B1 ACYLATION, SALT FORMATION, DEAMINATION SYNTEX (U.S.A.) LLC 2001-03-06 US disclosed