SCHEMBL8405048

SCHEMBL8405048

CC1(C)CC(C)(c2ccc(O)cc2O)c2cc(O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
OPRM1 P35372 8/20 0.35
ALOX12 P18054 2/20 0.34
OPRD1 P41143 4/20 0.34
OPRK1 P41145 3/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ENTPD5 O75356 1/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
FTO Q9C0B1 1/20 0.33

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
SCHEMBL8403336 0.91 ALDH1A1 (0.37) LMNAALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL8000482 0.88 LMNA (0.38) LMNAALDH1A1CYP3A4ALOX12OPRD1
SCHEMBL7773878 0.85 LMNA (0.35) LMNAALDH1A1CYP3A4OPRM1ALOX12
SCHEMBL7777080 0.85 LMNA (0.35) LMNAALDH1A1CYP3A4OPRM1ALOX12
SCHEMBL728580 0.82 ALDH1A1 (0.38) LMNAALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL29459356 0.82 ALDH1A1 (0.38) LMNAALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL7996188 0.82 ALDH1A1 (0.38) LMNAALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL7996227 0.82 ALDH1A1 (0.38) LMNAALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL9721391 0.81 OPRM1 (0.41) LMNAALDH1A1CYP3A4OPRM1OPRD1
SCHEMBL23448995 0.80 ALDH1A1 (0.41) LMNAALDH1A1CYP3A4OPRM1OPRD1

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
JP-11158100-A None JP disclosed
JP-H11158100-A PHENOLIC COMPOUND AND ITS PRODUCTION MITSUI CHEM INC 1999-06-15 JP disclosed
US-5576139-A EXCELLENT RESOLUTION, SENSITIVITY, HEAT RESISTANCE AND DEVELOPABILITY FUJI PHOTO FILM CO., LTD. (JP) 1996-11-19 US disclosed