SCHEMBL23201305

SCHEMBL23201305

CC1(C(=O)O)CCC(=O)N1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NOTUM Q6P988 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
TSHR P16473 2/20 0.31
P2RX7 Q99572 1/20 0.31
KDM4E B2RXH2 2/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL926627 0.79 ALDH1A1 (0.34) FFAR3ALDH1A1TSHR
SCHEMBL631011 0.78 BUB1 (0.35)
SCHEMBL311298 0.78 BUB1 (0.35)
SCHEMBL1293778 0.78 BUB1 (0.35)
SCHEMBL31694898 0.78 ALDH1A1 (0.44) FFAR3ALDH1A1NOTUMNCOA1NCOA3
SCHEMBL1587391 0.78 ALDH1A1 (0.44) FFAR3ALDH1A1NOTUMNCOA1NCOA3
SCHEMBL15130399 0.78 ALDH1A1 (0.44) FFAR3ALDH1A1NOTUMNCOA1NCOA3
SCHEMBL23878341 0.73 SMN1; SMN2 (0.38) ALDH1A1TSHRKDM4EPOLB
SCHEMBL20679760 0.73 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8534149 0.73 P2RX7 (0.47) NCOA1NCOA3TSHRP2RX7KDM4E

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
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 EP disclosed