SCHEMBL7052523

SCHEMBL7052523

C=C(C)C(=O)OC(C)COP(=O)(O)Oc1ccc(OCC)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PLK1 P53350 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ACACB O00763 4/20 0.36
PARP10 Q53GL7 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ACACA Q13085 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35

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
SCHEMBL1883168 0.89 MAPT (0.39) HPGDCYP1A2ALDH1A1NPC1RAB9A
SCHEMBL28439359 0.88 ALDH1A1 (0.46) ALDH1A1
SCHEMBL27898158 0.80 TSHR (0.40) ALDH1A1
SCHEMBL1468007 0.80 TSHR (0.44) ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL18140161 0.78 TSHR (0.43) ALDH1A1MAPT
SCHEMBL7052527 0.78 POLB (0.50) MEN1KMT2APLK1LMNACYP1A2
SCHEMBL898995 0.77 TSHR (0.42) ALDH1A1MAPT
SCHEMBL28854386 0.76 TSHR (0.41) ALDH1A1
SCHEMBL14173290 0.74 ACACB (0.47) NPSR1HPGDLMNATDP1ACACB
SCHEMBL28295872 0.74 BTN3A1 (0.46)

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-20030055123-A1 Dental cement composition KURARAY CO. LTD, (JP) 2003-03-20 US disclosed