SCHEMBL19209544

SCHEMBL19209544

CSSC(C)CCN1CCN(C(=O)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2C19 P33261 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
FAAH O00519 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
MTOR P42345 1/20 0.30
RAB9A P51151 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
OPRK1 P41145 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
SCHEMBL19230247 0.80 USP2 (0.41) ALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL19230082 0.80 USP2 (0.41) ALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL4315666 0.79 PIK3CD (0.46) PIK3CDPOLBALDH1A1CYP2C19TP53
SCHEMBL22320488 0.79 PIK3CD (0.41) PIK3CDPOLBALDH1A1CYP2C19TP53
SCHEMBL19209524 0.78
SCHEMBL19230248 0.73 SMN1; SMN2 (0.37) POLBALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL27320487 0.72 KDM4E (0.52) POLBALDH1A1KDM4E
SCHEMBL4760268 0.71 BLM (0.47) PIK3CDPOLBALDH1A1TP53SMN1; SMN2
SCHEMBL4319439 0.69 HRH3 (0.47) POLBALDH1A1CYP2C19SMN1; SMN2KDM4E
SCHEMBL932867 0.68 PIK3CD (0.42) PIK3CDALDH1A1KDM4E

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-2017136769-A1 PEPTIDE DRUG CONJUGATES EISAI R&D MANAGEMENT CO., LTD. (JP) 2017-08-10 WO disclosed