SCHEMBL7608525

SCHEMBL7608525

C=Cc1ccc(Oc2ccc(C(C)O)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
UGT2B7 P16662 1/20 0.37
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
SRD5A2 P31213 1/20 0.35
SCN9A Q15858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPA1 O75762 1/20 0.34
FURIN P09958 1/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
ACACB O00763 1/20 0.34

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
SCHEMBL394726 0.88 ALDH1A1 (0.55) ALDH1A1UGT2B7NOS3NOS1TDP1
SCHEMBL4941225 0.85 UGT2B7 (0.46) ALDH1A1UGT2B7NOS3NOS1SRD5A2
SCHEMBL7518854 0.82 ALDH1A1 (0.48) ALDH1A1UGT2B7NOS3NOS1TDP1
SCHEMBL296908 0.81 ALDH1A1 (0.65) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6743494 0.80 RXRA (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL17445753 0.79 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL4368301 0.78 SRD5A2 (0.55) ALDH1A1UGT2B7SRD5A2ACACBACACA
SCHEMBL14222884 0.78 ESR1 (0.61) UGT2B7MEN1KMT2A
SCHEMBL9923547 0.78 TEAD4 (0.50) ALDH1A1UGT2B7NOS3NOS1SRD5A2
SCHEMBL18383080 0.78 LTA4H (0.56) ALDH1A1TDP1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020007029-A1 Novel polyester resins ZAITSEY BORIS A (RU) 2002-01-17 US disclosed
US-6258909-B1 Polyester resins ZAITSEV BORIS A (RU) 2001-07-10 US disclosed
US-6143922-A NOVEL DIOL COMPOSITIONS, NOVEL UNSATURATED MONOMERS, NOVEL RESINS, NOVEL CROSSLINKED POLYMERS, NOVEL POLYESTER POLYMERS, NOVEL POLYESTER POLYMERS THAT DISPLAY IMPROVEMENT OVER ROLIVSAN RESINS ZAITSEV BORIS A (RU) 2000-11-07 US disclosed