SCHEMBL5453725

SCHEMBL5453725

CCCCOC(=O)C(=CC(=O)O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TSHR P16473 4/20 0.41
HPGD P15428 2/20 0.41
NAAA Q02083 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL5455571 0.82 NPSR1 (0.42) HCAR2ALDH1A1TSHRNPSR1SMN1; SMN2
SCHEMBL16160127 0.79 ATM (0.48) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL4437232 0.77 HCAR2 (0.53) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL4437235 0.77 HCAR2 (0.53) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL27817802 0.76 ATM (0.46) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL28065386 0.76 ATM (0.46) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL598743 0.75 ALDH1A1 (0.52) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL7767048 0.75 ALDH1A1 (0.52) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL598745 0.75 ALDH1A1 (0.52) HCAR2ATMALDH1A1TSHRHPGD
SCHEMBL27395298 0.75 HCAR2 (0.44) HCAR2ATMALDH1A1TSHRNAAA

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-20070043205-A1 Radiation curable thiol-ene composition DSM IP ASSETS B.V. (NL) 2007-02-22 US disclosed
EP-1477511-A1 Radiation curable thiol-ene composition DSM IP Assets B.V. (NL) 2004-11-17 EP disclosed