SCHEMBL13689151

SCHEMBL13689151

CCC(C(=O)NCCO)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 2/20 0.45
ECE1 P42892 3/20 0.43
CYP3A4 P08684 1/20 0.42
CNR1 P21554 2/20 0.40
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CXCL8 P10145 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL13688905 0.88 PTGS1 (0.47) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL16160297 0.85 USP2 (0.46) USP2MEN1KMT2ATSHRECE1
SCHEMBL18124688 0.84 USP2 (0.47) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL18124642 0.84 USP2 (0.47) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL2874631 0.84 USP2 (0.47) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL18124653 0.84 USP2 (0.47) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL18722874 0.82 USP2 (0.48) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL18124676 0.81 CNR1 (0.49) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL18124664 0.81 CNR1 (0.49) USP2MEN1KMT2AALDH1A1MAPT
SCHEMBL13575688 0.80 TSHR (0.39) USP2KMT2ATSHRECE1CHRNB2

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-20230217718-A1 METHOD FOR PRODUCING LIGHT-EMITTING ELEMENTS CENTRAL GLASS COMPANY, LIMITED (JP) 2023-07-06 US disclosed
WO-2009106982-A1 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed