SCHEMBL27891771

SCHEMBL27891771

C=C(CC)C(=O)Oc1ccc(C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.51
ALDH1A1 P00352 7/20 0.44
CYP2A6 P11509 1/20 0.44
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A3 P47895 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP3 Q9Y6F1 1/20 0.40
THRB P10828 1/20 0.38
ALDH3A1 P30838 1/20 0.38
ESR1 P03372 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
ELANE P08246 1/20 0.37
STS P08842 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
SCHEMBL13636557 0.88 KMT2A (0.46) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL5838271 0.87 THRB (0.41) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
Alcohol SCHEMBL28535371 0.82 KMT2A (0.50) KMT2AALDH1A1CYP2A6MAPTSMN1; SMN2
SCHEMBL7738348 0.81 ELANE (0.56) KMT2AALDH1A1CYP2A6MAPTSMN1; SMN2
SCHEMBL27497707 0.81 KMT2A (0.46) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL28406802 0.81 ELANE (0.42) KMT2AMAPTSMN1; SMN2LMNAMEN1
SCHEMBL7079700 0.79 KMT2A (0.43) KMT2AMAPTSMN1; SMN2HPGDMEN1
SCHEMBL28198215 0.79 MGLL (0.45) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL28061211 0.79 FAAH (0.43) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL17546909 0.79 ELANE (0.44) KMT2AMAPTSMN1; SMN2LMNAMEN1

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
CN-102702774-B Near infrared fluoro-boron dipyrrole fluorescent dyes and synthesis method thereof UNIV ANHUI NORMAL 2013-12-25 CN disclosed
CN-102702774-A Near infrared fluoro-boron dipyrrole fluorescent dyes and synthesis method thereof UNIV ANHUI NORMAL 2012-10-03 CN disclosed