SCHEMBL30404697

SCHEMBL30404697

CCCCOC(=O)[C@H]1CNCCN1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.38
PRCP P42785 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NAAA Q02083 3/20 0.35
HCAR2 Q8TDS4 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL1951212 0.90 PPM1B (0.37) PRCPHCAR2
SCHEMBL27550910 0.84 MAPT (0.42) ALDH1A1HPGD
SCHEMBL7189528 0.84 MAPT (0.42) ALDH1A1HPGD
SCHEMBL1417951 0.84 MAPT (0.42) ALDH1A1HPGD
Hydrochloric Acid SCHEMBL4283062 0.83 MAPT (0.44) ALDH1A1
Hydrochloric Acid SCHEMBL2920606 0.83 MAPT (0.44) ALDH1A1
Acetic Acid SCHEMBL6729875 0.80 MAPT (0.43) ALDH1A1LMNA
SCHEMBL11881200 0.80 NAAA (0.50) ALDH1A1TSHRNAAAHCAR2LMNA
SCHEMBL1387029 0.79
SCHEMBL2638667 0.79 PRCP (0.51) ALDH1A1ATMPRCPHPGDTSHR

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-4168002-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS Revolution Medicines, Inc. (US) 2023-04-26 EP disclosed