SCHEMBL9683606

SCHEMBL9683606

CC(C)(C)C(=O)C(Cl)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
MAPT P10636 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.41
GAA P10253 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CYP3A4 P08684 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHBP P24387 1/20 0.39

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
SCHEMBL11722302 0.90 CYP1A2 (0.54) HSP90AA1MAPTGPR55MEN1KMT2A
SCHEMBL10460335 0.84 CYP3A4 (0.56) MAPTGPR55MEN1KMT2AATM
SCHEMBL11840833 0.83 OGG1 (0.50) MAPTALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL11841309 0.82 LDHA (0.49) HSP90AA1MAPTGPR55ALDH1A1MEN1
SCHEMBL11836109 0.82 SMN1; SMN2 (0.45) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL11046805 0.82 MTNR1A (0.39) HSP90AA1MAPTGPR55ALDH1A1MEN1
SCHEMBL11834557 0.80 SSTR4 (0.43) LMNAMTNR1AMTNR1BNPC1RAB9A
SCHEMBL11854999 0.80 CYP3A4 (0.52) MAPTGPR55MEN1KMT2AGAA
SCHEMBL11513352 0.79 HPGD (0.45) HSP90AA1MAPTGPR55ALDH1A1MEN1
SCHEMBL10165376 0.79 GAA (0.53) ALDH1A1MEN1KMT2AATMLMNA

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-0478327-A1 Method for thickening metal-containing products using DMDAAC/acrylic acid-type polymers CALGON CORPORATION (US) 1992-04-01 EP disclosed