SCHEMBL4429592

SCHEMBL4429592

O=C(C=Cc1ccccc1)C1=C(O)CC(O)(O)C=C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
CYP1B1 Q16678 6/20 0.49
CYP3A4 P08684 3/20 0.49
KMT2A Q03164 3/20 0.49
MAOB P27338 3/20 0.49
HSPD1 P10809 2/20 0.49
HSPE1 P61604 2/20 0.49
MEN1 O00255 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
F3 P13726 2/20 0.49
ALDH2 P05091 1/20 0.49
CYP19A1 P11511 1/20 0.49
MAOA P21397 1/20 0.49
BCHE P06276 2/20 0.46
PLIN1 O60240 2/20 0.46
LMNA P02545 2/20 0.46
RECQL P46063 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
TNFRSF1A P19438 1/20 0.46

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
SCHEMBL29945646 0.74 MAPT (0.46) MAPTCYP1B1CYP3A4KMT2AMAOB
SCHEMBL6270921 0.74 MAPT (0.46) MAPTCYP1B1CYP3A4KMT2AMAOB
SCHEMBL6371606 0.74 TRPA1 (0.38) MAPTCYP3A4KMT2AMAOBMEN1
SCHEMBL27590456 0.73 MAPT (0.48) MAPTCYP1B1CYP3A4KMT2AMAOB
SCHEMBL30178156 0.69 MAPT (0.47) MAPTCYP1B1CYP3A4KMT2AMAOB
SCHEMBL424985 0.69 LIG1 (0.41) MAPTCYP3A4KMT2AMEN1LMNA
SCHEMBL28751345 0.68 MAPT (0.45) MAPTCYP1B1CYP3A4KMT2AMAOB
4'-Hydroxychalcone SCHEMBL25232573 0.66 CYP1B1 (1.00) MAPTCYP1B1CYP3A4KMT2AMAOB
4'-Hydroxychalcone SCHEMBL127606 0.66 CYP1B1 (1.00) MAPTCYP1B1CYP3A4KMT2AMAOB
4'-Hydroxychalcone SCHEMBL1373907 0.66 CYP1B1 (1.00) MAPTCYP1B1CYP3A4KMT2AMAOB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1733682-A Sofalcone preparation method RUAN HUAJUN (CN) 2006-02-15 CN claimed
US-7501556-B2 Nutritionally enhanced plants UNILEVER PATENT HOLDINGS B.V. (NL) 2009-03-10 US disclosed
CN-1733682-A Sofalcone preparation method RUAN HUAJUN (CN) 2006-02-15 CN disclosed
US-20050241014-A1 Nutritionally enhanced plants UNILEVER PATENT HOLDINGS B.V. (NL) 2005-10-27 US disclosed
CN-1650017-A Production of dadzein in transgenic plants UNILEVER NV (NL) 2005-08-03 CN disclosed