SCHEMBL669094

SCHEMBL669094

COc1cc(C(O)C(C)=O)cc(OC)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
PKM P14618 3/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
BLM P54132 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TSHR P16473 1/20 0.49
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL11135068 0.85 BLM (0.67) LMNAPKMCA12CA1CA2
SCHEMBL11135072 0.85 BLM (0.67) LMNAPKMCA12CA1CA2
SCHEMBL29172243 0.80 TSHR (0.76) BLMNPSR1TSHRCYP3A4GAA
SCHEMBL18255548 0.79 ACHE (0.57) LMNACA12CA1CA2CA4
SCHEMBL6659548 0.79 LMNA (0.47) LMNAPKMCA12CA1CA2
SCHEMBL6659549 0.79 LMNA (0.47) LMNAPKMCA12CA1CA2
SCHEMBL16372693 0.77 TUBB4A (0.55) LMNAPKMCA12CA1CA2
SCHEMBL21729392 0.77 CA12 (0.48) LMNAPKMCA12CA1CA2
SCHEMBL15241086 0.75 PKM (0.47) LMNAPKMCA12CA1CA2
SCHEMBL9987913 0.75 BLM (0.59) LMNAPKMCA12CA1CA2

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
CN-1330409-C Process for the preparation of flavor or fragrance microcapsules FIRMENICH & CIE (CH) 2007-08-08 CN disclosed
CN-1736173-A Method for improving genetic transformation efficiency of Japanese lawngrass INST FORESTRY CAF (CN) 2006-02-22 CN disclosed
CN-1674978-A Process for preparing flavor or fragrance microcapsules FIRMENICH & CIE (CH) 2005-09-28 CN disclosed