SCHEMBL9638787

SCHEMBL9638787

CCC(C)COc1ccc(OC(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
FFAR1 O14842 1/20 0.50
KMT2A Q03164 2/20 0.48
ESR1 P03372 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ESR2 Q92731 1/20 0.46
SLC6A2 P23975 2/20 0.46
PTGS1 P23219 1/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6936519 1.00 MAPT (0.50) MAPTFFAR1KMT2AESR1CA12
SCHEMBL20931321 0.94 MAPT (0.55) MAPTFFAR1KMT2ALMNACYP1A2
SCHEMBL4953172 0.88 MAPT (0.66) MAPTKMT2AESR1CA12CA1
SCHEMBL9456360 0.88 MAPT (0.66) MAPTKMT2AESR1CA12CA1
SCHEMBL12154317 0.88 MAPT (0.50) MAPTFFAR1KMT2ALMNACYP1A2
SCHEMBL26603603 0.87 MAPT (0.42) MAPTFFAR1KMT2AESR1CA12
SCHEMBL9474247 0.86 FFAR1 (0.48) MAPTFFAR1KMT2ALMNACYP1A2
SCHEMBL8912305 0.86 FFAR1 (0.54) FFAR1SLC6A2PTGS1LMNACYP1A2
SCHEMBL6937523 0.86 FFAR1 (0.54) FFAR1SLC6A2PTGS1LMNACYP1A2
SCHEMBL9639807 0.85 MAOB (0.56) MAPTFFAR1LMNASMN1; SMN2ALDH1A1

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-5166403-A Liquid crystals SHOWA DENKO K.K. (JP) 1992-11-24 US disclosed