SCHEMBL11054511

SCHEMBL11054511

CCC(C)(C)OOOC(=O)C(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.38
RIPK1 Q13546 1/20 0.38
CTSK P43235 3/20 0.37
KMT2A Q03164 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11048609 0.84 ALDH1A1 (0.46) ATML3MBTL1LMNACYP1A2CYP2D6
SCHEMBL11052858 0.84 MEN1 (0.48) ATML3MBTL1LMNAKMT2AMEN1
SCHEMBL18990763 0.78 ALDH1A1 (0.53) ATML3MBTL1LMNAPTGS2ALDH1A1
SCHEMBL7651108 0.77 KMT2A (0.52) L3MBTL1LMNACYP2D6PTGS2PTGS1
SCHEMBL657870 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL659618 0.75 TDP1 (0.59) L3MBTL1LMNACYP1A2CYP2D6ALDH1A1
SCHEMBL10716712 0.74 MEN1 (0.44) L3MBTL1LMNAKMT2AMEN1GAA
Isopropylbenzene SCHEMBL2498750 0.74 LMNA (0.41) ATML3MBTL1LMNARIPK1KMT2A
SCHEMBL22774317 0.74 SMN1; SMN2 (0.47) L3MBTL1ALDH1A1SMN1; SMN2RIPK1KMT2A
SCHEMBL15201697 0.73 KMT2A (0.53) L3MBTL1LMNACYP2D6PTGS2PTGS1

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
US-4486580-A VINYL CHLORIDE, UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1984-12-04 US disclosed